benzo(j)fluoranthene

Synonyms: "benzo[j]fluoranthene", "benz(j)fluoranthene", "7,8-benzofluoranthene", "B(j)F", "benzo(l)fluoranthene", "dibenzo(a,jk)fluorene", "10,11-benzfluoranthene", "10,11-benzofluoranthene", "benzo-12,13-fluoranthene", "benzo[l]fluoranthene", "dibenzo[a,jk]fluorene".

Source: benzo(j)fluorantheneis a polycyclic aromatic hydrocarbon that can be released into the environment via combustion of coal, coal tar and petroleum products.

Identifiers:

IUPAC Name: pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene
CAS Number: 205-82-3
PubChem ID: 9152
InChiKey: KHNYNFUTFKJLDD-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC5=C4C3=CC=C5

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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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.