Molecule ID: 23657871

IUPAC Name: 7,10-bis(4-bromophenyl)-8,9-bis(4-octylphenyl)fluoranthene

Description: The molecule is an organobromine compound that is fluoranthene in which the hydrogens at positions 7 and 10 are substituted by 4-bromophenyl groups, while those at positions 8 and 9 are substituted by 4-octylphenyl groups. It derives from a hydride of a fluoranthene.

SMILES: CCCCCCCCc1ccc(-c2c(-c3ccc(CCCCCCCC)cc3)c(-c3ccc(Br)cc3)c3c(c2-c2ccc(Br)cc2)-c2cccc4cccc-3c24)cc1

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

InChI: InChI=1S/C56H56Br2/c1-3-5-7-9-11-13-17-39-23-27-42(28-24-39)51-52(43-29-25-40(26-30-43)18-14-12-10-8-6-4-2)54(45-33-37-47(58)38-34-45)56-49-22-16-20-41-19-15-21-48(50(41)49)55(56)53(51)44-31-35-46(57)36-32-44/h15-16,19-38H,3-14,17-18H2,1-2H3

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 20.5