benzo[b]triphenylene

Synonyms: "benzo[f]tetraphene", "dibenz[a,c]anthracene", "dibenzo[a,c]anthracene", "benzotriphenylene", "dibenz(a,c)anthracene", "dibenzanthracene", "benzo(b)triphenylene", "1,2,3,4-dibenzanthracene", "dibenzo(a,c)anthracene", "2,3-benzotriphenylene", "1,2:3,4-dibenzoanthracene", "2,3-benztriphenylene", "1,2,3,4-1,2,3,4-dibenzanthracene".

Source: benzo[b]triphenylene is a polycyclic aromatic hydrocarbon, which is a major environmental pollutant. It can be formed via incomplete combustion of organic matter.

Identifiers:

IUPAC Name: benzo[b]triphenylene
CAS Number: 414-29-9
PubChem ID: 9164
InChiKey: RAASUWZPTOJQAY-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C=C3C4=CC=CC=C4C5=CC=CC=C5C3=CC2=C1

Structural Properties:

Molecular Formula: C₂₂H₁₄
Molecular Weight: 278.354

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 22

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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

Tran DQ, Ide CF, McLachlan JA, Arnold SF. 1996. The anti-estrogenic activity of selected polynuclear aromatic hydrocarbons in yeast expressing human estrogen receptor. Biochem Biophys Res Commun 229(1):102-108. DOI: 10.1006/bbrc.1996.1764. URL: https://www.sciencedirect.com/science/article/pii/S0006291X96917647.