Molecule ID: 82360

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

Description: The molecule is a hydrochloride that is the dihydrochloride of 4,4'-[1,3-phenylenebis(diazene-2,1-diyl)]di(benzene-1,3-diamine). Bismarck brown Y is a metachromatic dye which stains acid mucins yellow. It is also a constituent of Papanicolaou's EA solutions, used for cervical, and other smears. It has a role as a histological dye, a fluorochrome and an allergen. It contains a basic brown 1.

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

SELFIES: [Cl].[Cl].[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/C18H18N8.2ClH/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;2*1H

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