Molecule ID: 5477073

IUPAC Name: (2Z)-1-ethyl-2-[(E)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole

Description: The molecule is a symmetrical C3 cyanine dye having 1-ethylnaphtho[1,2-d][1,3]thiazol-2-yl groups at each end. It has a role as a fluorochrome. It is a cyanine dye and an organic cation.

SMILES: CCN1C(=CC(C)=Cc2sc3ccc4ccccc4c3[n+]2CC)Sc2ccc3ccccc3c21

SELFIES: [C][C][N][C][=Branch2][Ring1][N][=C][C][Branch1][C][C][=C][C][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N+1][=Ring1][=N][C][C][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Ring2][Ring1][S]

InChI: InChI=1S/C30H27N2S2/c1-4-31-27(33-25-16-14-21-10-6-8-12-23(21)29(25)31)18-20(3)19-28-32(5-2)30-24-13-9-7-11-22(24)15-17-26(30)34-28/h6-19H,4-5H2,1-3H3/q+1

Molecular Properties:
- Polar Surface Area: 60.7 Ų
- LogP: 9.4