Molecule ID: 91828252

IUPAC Name: [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-phenylazanium;chloride

Description: The molecule is an iminium salt composed of 4-{(4-anilinonaphthalen-1-yl)[4-(diethylamino)phenyl]methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium and chloride ions in a 1:1 ratio. It has a role as a histological dye and a fluorochrome. It is an organic chloride salt and an iminium salt. It contains a night blue(1+).

SMILES: CCN(CC)c1ccc(C(=C2C=CC(=Nc3ccccc3)c3ccccc32)c2ccc(N(CC)CC)cc2)cc1.Cl

SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring2][#C][C][=Branch2][Ring1][#Branch2][=C][C][=C][C][=Branch1][#Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P][C][=C][C][=C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][O][C][=C][Ring2][Ring2][Ring1].[Cl]

InChI: InChI=1S/C37H39N3.ClH/c1-5-39(6-2)31-22-18-28(19-23-31)37(29-20-24-32(25-21-29)40(7-3)8-4)35-26-27-36(34-17-13-12-16-33(34)35)38-30-14-10-9-11-15-30;/h9-27H,5-8H2,1-4H3;1H

Molecular Properties:
- Polar Surface Area: 20.4 Ų
- LogP: nan