Molecule ID: 44140587

IUPAC Name: 7,10-bis(4-bromophenyl)-8-nonyl-9-octylfluoranthene

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 nonyl and octyl groups, respectively. It derives from a hydride of a fluoranthene.

SMILES: CCCCCCCCCc1c(CCCCCCCC)c(-c2ccc(Br)cc2)c2c(c1-c1ccc(Br)cc1)-c1cccc3cccc-2c13

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

InChI: InChI=1S/C45H50Br2/c1-3-5-7-9-11-13-15-21-38-37(20-14-12-10-8-6-4-2)42(33-24-28-35(46)29-25-33)44-39-22-16-18-32-19-17-23-40(41(32)39)45(44)43(38)34-26-30-36(47)31-27-34/h16-19,22-31H,3-15,20-21H2,1-2H3

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 17.8