Molecule ID: 16938

IUPAC Name: (5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium;chloride

Description: The molecule is an organic chloride salt having 5-amino-9-(diethylamino)benzo[a]phenoxazin-7-ium as the couterion. fluorescent dye which is also a potent photosensitiser for photodynamic therapy. It has a role as a fluorochrome and a histological dye. It contains a nile blue(1+).

SMILES: CCN(CC)c1ccc2nc3c4ccccc4c(=N)cc-3oc2c1.Cl

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

InChI: InChI=1S/C20H19N3O.ClH/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;/h5-12,21H,3-4H2,1-2H3;1H

Molecular Properties:
- Polar Surface Area: 50.6 Ų
- LogP: nan