Molecule ID: 159881

IUPAC Name: 3,6-bis[(4-aminophenyl)imino]cyclohexa-1,4-diene-1,4-diamine

Description: The molecule is a quinone imine having amino substituents in the 2- and 5-positions and 4-aminophenyl substituents on both of the imine nitrogens. It is a trimer formed from 1,4-phenylenediamine. It has a role as a mutagen and an allergen. It derives from a 1,4-phenylenediamine.

SMILES: NC1=CC(=Nc2ccc(N)cc2)C(N)=CC1=Nc1ccc(N)cc1

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

InChI: InChI=1S/C18H18N6/c19-11-1-5-13(6-2-11)23-17-9-16(22)18(10-15(17)21)24-14-7-3-12(20)4-8-14/h1-10H,19-22H2

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: 1.4