Molecule ID: 1674

IUPAC Name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene

Description: The molecule is a pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position. It has a role as a carcinogenic agent and an aryl hydrocarbon receptor agonist.

SMILES: Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3

SELFIES: [C][C][=C][C][=C][C][=C][C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][C][Ring1][=C][=C][Ring2][Ring1][C][C][C][Ring1][Branch1]

InChI: InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 6.4