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Pyrenes

Polycyclic organic compounds that consist of four fused benzene rings with a total of sixteen carbon atoms and ten hydrogen atoms.
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Keyword Search:
1 – 15 of 31 results
1

Benzopyrene, TRC

CAS: 50-32-8 Molecular Formula: C20 H12 Molecular Weight (g/mol): 252.31 Synonym: Benzo[a]pyrene,3,4-Benz[a]pyrene,3,4-Benzopyrene,3,4-Benzpyrene,3,4-Benzpyrene (carcinogen),4,5-Benzpyrene,6,7-Benzopyrene,BaP,Benz[a]pyrene,Benzo[d,e,f]chrysene,Benzopyrene,NSC 21914 IUPAC Name: benzo[a]pyrene SMILES: c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45

CAS 50-32-8
Molecular Weight (g/mol) 252.31
SMILES c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45
Synonym Benzo[a]pyrene,3,4-Benz[a]pyrene,3,4-Benzopyrene,3,4-Benzpyrene,3,4-Benzpyrene (carcinogen),4,5-Benzpyrene,6,7-Benzopyrene,BaP,Benz[a]pyrene,Benzo[d,e,f]chrysene,Benzopyrene,NSC 21914
IUPAC Name benzo[a]pyrene
Molecular Formula C20 H12
2

Hypericin, TRC

CAS: 548-04-9 Molecular Formula: C30 H16 O8 Molecular Weight (g/mol): 504.44 Synonym: Phenanthro[1,10,9,8-opqra]perylene-7,14-dione, 1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-, stereoisomer (6CI, 7CI, 8CI, 9CI, ACI),stereoisomer of 1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione (ACI),1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione P-conformer,Cyclo-Werol,Cyclosan,HyBryte,Hyperflav,Hypericin,Hypericum red,NSC 407313,SGX 301 SMILES: O=C1C2=C(O)C=C(O)C=3C=4C(O)=CC(O)=C5C(=O)C6=C(O)C=C(C7=C6C(C54)=C(C23)C8=C1C(O)=CC(=C87)C)C

CAS 548-04-9
Molecular Weight (g/mol) 504.44
SMILES O=C1C2=C(O)C=C(O)C=3C=4C(O)=CC(O)=C5C(=O)C6=C(O)C=C(C7=C6C(C54)=C(C23)C8=C1C(O)=CC(=C87)C)C
Synonym Phenanthro[1,10,9,8-opqra]perylene-7,14-dione, 1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-, stereoisomer (6CI, 7CI, 8CI, 9CI, ACI),stereoisomer of 1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione (ACI),1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione P-conformer,Cyclo-Werol,Cyclosan,HyBryte,Hyperflav,Hypericin,Hypericum red,NSC 407313,SGX 301
Molecular Formula C30 H16 O8
3

Acepyrene, TRC

CAS: 27208-37-3 Molecular Formula: C18 H10 Molecular Weight (g/mol): 226.27 Synonym: Cyclopenta[cd]pyrene,Acepyrene,Acepyrylene,Cyclopenta[c,d]pyrene IUPAC Name: pentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),5,7(16),8,10(15),11,13-nonaene SMILES: C1=Cc2cc3cccc4ccc5ccc1c2c5c34

CAS 27208-37-3
Molecular Weight (g/mol) 226.27
SMILES C1=Cc2cc3cccc4ccc5ccc1c2c5c34
Synonym Cyclopenta[cd]pyrene,Acepyrene,Acepyrylene,Cyclopenta[c,d]pyrene
IUPAC Name pentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),5,7(16),8,10(15),11,13-nonaene
Molecular Formula C18 H10
4

Pyrene, TRC

CAS: 129-00-0 Molecular Formula: C16 H10 Molecular Weight (g/mol): 202.25 Synonym: Pyrene,Benzo[def]phenanthrene,NSC 17534,NSC 66449 IUPAC Name: pyrene SMILES: c1cc2ccc3cccc4ccc(c1)c2c34

CAS 129-00-0
Molecular Weight (g/mol) 202.25
SMILES c1cc2ccc3cccc4ccc(c1)c2c34
Synonym Pyrene,Benzo[def]phenanthrene,NSC 17534,NSC 66449
IUPAC Name pyrene
Molecular Formula C16 H10
5

4-Nitropyrene, TRC

CAS: 57835-92-4 Molecular Formula: C16 H9 N O2 Molecular Weight (g/mol): 247.25 Synonym: Pyrene, 4-nitro-,4-Nitropyrene IUPAC Name: 4-nitropyrene SMILES: [O-][N+](=O)c1cc2cccc3ccc4cccc1c4c23

CAS 57835-92-4
Molecular Weight (g/mol) 247.25
SMILES [O-][N+](=O)c1cc2cccc3ccc4cccc1c4c23
Synonym Pyrene, 4-nitro-,4-Nitropyrene
IUPAC Name 4-nitropyrene
Molecular Formula C16 H9 N O2
6

Violanthrone 79, TRC

CAS: 85652-50-2 Molecular Formula: C50H48O4 Molecular Weight (g/mol): 712.91 Synonym: 16,17-Bis(octyloxy)anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione SMILES: CCCCCCCCOc1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccccc8c9cc(OCCCCCCCC)c(c1c5c24)c6c79

CAS 85652-50-2
Molecular Weight (g/mol) 712.91
SMILES CCCCCCCCOc1cc2c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccccc8c9cc(OCCCCCCCC)c(c1c5c24)c6c79
Synonym 16,17-Bis(octyloxy)anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione
Molecular Formula C50H48O4
7

1-Nitropyrene, TRC

CAS: 5522-43-0 Molecular Formula: C16 H9 N O2 Molecular Weight (g/mol): 247.25 Synonym: Pyrene, 1-nitro-,1-Nitropyrene,3-Nitropyrene,NSC 81340 IUPAC Name: 1-nitropyrene SMILES: [O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34

CAS 5522-43-0
Molecular Weight (g/mol) 247.25
SMILES [O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34
Synonym Pyrene, 1-nitro-,1-Nitropyrene,3-Nitropyrene,NSC 81340
IUPAC Name 1-nitropyrene
Molecular Formula C16 H9 N O2
8

1-Pyrenebutylamine, TRC

CAS: 205488-15-9 Molecular Formula: C20 H19 N Molecular Weight (g/mol): 273.37 Synonym: 1-Pyrenebutanamine,1-(4-Aminobutyl)pyrene,4-(1-Pyrenyl)butylamine,1-Pyrenebutylamine IUPAC Name: 4-pyren-1-ylbutan-1-amine SMILES: NCCCCc1ccc2ccc3cccc4ccc1c2c34

CAS 205488-15-9
Molecular Weight (g/mol) 273.37
SMILES NCCCCc1ccc2ccc3cccc4ccc1c2c34
Synonym 1-Pyrenebutanamine,1-(4-Aminobutyl)pyrene,4-(1-Pyrenyl)butylamine,1-Pyrenebutylamine
IUPAC Name 4-pyren-1-ylbutan-1-amine
Molecular Formula C20 H19 N
9

1-Hydroxypyrene, TRC

CAS: 5315-79-7 Molecular Formula: C16 H10 O Molecular Weight (g/mol): 218.25 Synonym: 1-Pyrenol,1-Hydroxypyrene,3-Hydroxypyrene,3-Pyrenol,NSC 30968 IUPAC Name: pyren-1-ol SMILES: Oc1ccc2ccc3cccc4ccc1c2c34

CAS 5315-79-7
Molecular Weight (g/mol) 218.25
SMILES Oc1ccc2ccc3cccc4ccc1c2c34
Synonym 1-Pyrenol,1-Hydroxypyrene,3-Hydroxypyrene,3-Pyrenol,NSC 30968
IUPAC Name pyren-1-ol
Molecular Formula C16 H10 O
11

3-Hydroxy Benzopyrene, TRC

CAS: 13345-21-6 Molecular Formula: C20 H12 O Molecular Weight (g/mol): 268.31 Synonym: Benzo[a]pyren-3-ol,3-Hydroxy-3,4-benzo[a]pyrene,3-Hydroxybenzo[a]pyrene; IUPAC Name: benzo[a]pyren-3-ol SMILES: Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35

CAS 13345-21-6
Molecular Weight (g/mol) 268.31
SMILES Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35
Synonym Benzo[a]pyren-3-ol,3-Hydroxy-3,4-benzo[a]pyrene,3-Hydroxybenzo[a]pyrene;
IUPAC Name benzo[a]pyren-3-ol
Molecular Formula C20 H12 O
12

Dibenzo[a,i]pyrene, TRC

CAS: 189-55-9 Molecular Formula: C24 H14 Molecular Weight (g/mol): 302.37 Synonym: Benzo[rst]pentaphene,Benzo[rst]pentacene (7CI),1,2:7,8-Dibenzpyrene,3,4:9,10-Dibenzopyrene,Dibenzo[a,i]pyrene,Dibenzo[b,h]pyrene,NSC 87521,Dibenz[a,i]pyrene IUPAC Name: Dibenzo[a,i]pyrene SMILES: c1ccc2c(c1)cc3ccc4cc5ccccc5c6ccc2c3c46

CAS 189-55-9
Molecular Weight (g/mol) 302.37
SMILES c1ccc2c(c1)cc3ccc4cc5ccccc5c6ccc2c3c46
Synonym Benzo[rst]pentaphene,Benzo[rst]pentacene (7CI),1,2:7,8-Dibenzpyrene,3,4:9,10-Dibenzopyrene,Dibenzo[a,i]pyrene,Dibenzo[b,h]pyrene,NSC 87521,Dibenz[a,i]pyrene
IUPAC Name Dibenzo[a,i]pyrene
Molecular Formula C24 H14
13

7-Hydroxybenzo[a]pyrene, TRC

CAS: 37994-82-4 Molecular Formula: C20 H12 O Molecular Weight (g/mol): 268.31 Synonym: Benzo[a]pyren-7-ol,7-Hydroxybenzo[a]pyrene,7-Hydroxybenzopyrene IUPAC Name: benzo[a]pyren-7-ol SMILES: Oc1cccc2c1cc3ccc4cccc5ccc2c3c45

CAS 37994-82-4
Molecular Weight (g/mol) 268.31
SMILES Oc1cccc2c1cc3ccc4cccc5ccc2c3c45
Synonym Benzo[a]pyren-7-ol,7-Hydroxybenzo[a]pyrene,7-Hydroxybenzopyrene
IUPAC Name benzo[a]pyren-7-ol
Molecular Formula C20 H12 O
14

1-Pyrenylmethyl Methanethiosulfonate, TRC

CAS: 384342-65-8 Molecular Formula: C18 H14 O2 S2 Molecular Weight (g/mol): 326.43 Synonym: Methanesulfonothioic acid, S-(1-pyrenylmethyl) ester,1-Pyrenylmethyl methanethiosulfonate IUPAC Name: 1-(methylsulfonylsulfanylmethyl)pyrene SMILES: CS(=O)(=O)SCc1ccc2ccc3cccc4ccc1c2c34

CAS 384342-65-8
Molecular Weight (g/mol) 326.43
SMILES CS(=O)(=O)SCc1ccc2ccc3cccc4ccc1c2c34
Synonym Methanesulfonothioic acid, S-(1-pyrenylmethyl) ester,1-Pyrenylmethyl methanethiosulfonate
IUPAC Name 1-(methylsulfonylsulfanylmethyl)pyrene
Molecular Formula C18 H14 O2 S2
15

Benzo[ghi]perylene, TRC

CAS: 191-24-2 Molecular Formula: C22 H12 Molecular Weight (g/mol): 276.33 Synonym: Benzo[ghi]perylene,1,12-Benzoperylene,1,12-Benzperylene,NSC 89275 IUPAC Name: Benzo[g,h,i]perylene SMILES: c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56

CAS 191-24-2
Molecular Weight (g/mol) 276.33
SMILES c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56
Synonym Benzo[ghi]perylene,1,12-Benzoperylene,1,12-Benzperylene,NSC 89275
IUPAC Name Benzo[g,h,i]perylene
Molecular Formula C22 H12