naphtho[2,3-a]pyrene

Synonyms: "naphtho[2,3-a]pyrene", "naphtho[2,1,8-qra]tetracene", "naphtho[2,1,8-qra]naphthacene", "naphtho(2,3-a)pyrene", "naphthol[2,3-a]pyrene", "naphtho[2,3-alpha]pyrene".

Source: Naphtho[2,3-a]pyrene is a member of the class of ubiquitous environmental pollutants called polycyclic aromatic hydrocarbons that are byproducts of combustion.

Identifiers:

IUPAC Name: hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene
CAS Number: 196-42-9
PubChem ID: 9137
InChiKey: AXSJLZJXXUBRBS-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C=C3C4=C5C(=CC3=CC2=C1)C=CC6=C5C(=CC=C6)C=C4

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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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.