dibenzo[a,e]fluoranthene

Synonyms: "Dibenzo[a,e]fluoranthene","dibenzo(a,e)fluoranthene", "dibenz(a,e)aceanthrylene", "2,3,5,6-dibenzofluoranthene", "dibenz[a,e]aceanthrylene", "indeno[1,2,3-gh]tetraphene".

Source: Dibenzo[a,e]pyrene is primarily found in gasoline exhaust, tobacco smoke and fossil fuels.

Identifiers:

IUPAC Name: hexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene
CAS Number: 5385-75-1
PubChem ID: 21480
InChiKey: JHOWUOKQHJHGMU-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C=C3C4=CC=CC=C4C5=C3C2=CC6=CC=CC=C65

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

Downloads

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

Search Similar molecules

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.