dibenzo[a,h]pyrene

Synonyms: "dibenzo[b,def]chrysene", "dibenzo[a,h]pyrene", "dibenzo(a,h)pyrene", "DB(a,h)P", "3,4,8,9-dibenzopyrene", "1,2,6,7-dibenzopyrene", "dibenz[a,h]pyrene", "dibenzo(a,h)pyrene", "1,2,6,7-Dibenzpyrene".

Source: dibenzo[a,h]pyrene is a dibenzopyrene isomer. Primary sources of dibenzopyrenes in the environment are combustion of wood and coal, gasoline and diesel exhaust, and tires.

Identifiers:

IUPAC Name: hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene
CAS Number: 189-64-0
PubChem ID: 9108
InChiKey: RXUSYFJGDZFVND-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC6=CC=CC=C56)C=C3

Structural Properties:

Molecular Formula: C₂₄H₁₄
Molecular Weight: 302.376

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 24

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Machala M, Vondracek J, Blaha L, Ciganek M, Neca JV. 2001. Aryl hydrocarbon receptor-mediated activity of mutagenic polycyclic aromatic hydrocarbons determined using in vitro reporter gene assay. Mutat Res 497(1-2):49-62. DOI: 10.1016/S1383-5718(01)00240-6. URL: https://www.sciencedirect.com/science/article/pii/S1383571801002406.