Molecule ID: 13981

IUPAC Name: 4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine

Description: The molecule is a bis(azo) compound that is 1,1'-(1,3-phenylene)bis(diazene) in which both azene hydrogens are replaced by 2,4-diaminophenyl groups. A metachromatic dye which stains acid mucins yellow. It is also a constituent of Papanicolaou's EA solutions, used for cervical, and other smears. Its dihydrochloride salt is also a biological dye known as Bismark brown Y. It has a role as a fluorochrome and a histological dye. It is a bis(azo) compound, a member of azobenzenes, a tetramine and a substituted aniline.

SMILES: Nc1ccc(N=Nc2cccc(N=Nc3ccc(N)cc3N)c2)c(N)c1

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

InChI: InChI=1S/C18H18N8/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22/h1-10H,19-22H2

Molecular Properties:
- Polar Surface Area: 154.0 Ų
- LogP: 2.8