Molecule ID: 6001

IUPAC Name: 7,12-dimethylbenzo[a]anthracene

Description: The molecule is a tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke. It has a role as a carcinogenic agent. It is a member of tetraphenes and an ortho-fused polycyclic arene.

SMILES: Cc1c2ccccc2c(C)c2c1ccc1ccccc12

SELFIES: [C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][C][C][C][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]

InChI: InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 5.8