benzo[k]fluoranthene

Synonyms: "benzo[k]fluoranthene","8,9-Benzofluoranthene", "8,9-Benzfluoranthene", "2,3,1',8'-binaphthylene".

Source: benzo[k]fluoranthene is a member of the class of ubiquitous environmental pollutants called polycyclic aromatic hydrocarbons that are byproducts of combustion.

Identifiers:

IUPAC Name: benzo[k]fluoranthene
CAS Number: 207-08-9
PubChem ID: 9158
InChiKey: HAXBIWFMXWRORI-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C=C3C4=CC=CC5=C4C(=CC=C5)C3=CC2=C1

Structural Properties:

Molecular Formula: C₂₀H₁₂
Molecular Weight: 252.316

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 20

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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.