Molecule ID: 25241488

IUPAC Name: (2Z)-1-ethyl-2-[(2E,4Z)-5-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethylindole

Description: The molecule is the cationic form of a C5 cyanine dye having 1-ethyl-3,3-dimethylindoleinine units at each end. It has a role as a fluorochrome. It is a Cy5 dye and an indolium ion.

SMILES: CCN1C(=CC=CC=CC2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21

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

InChI: InChI=1S/C29H35N2/c1-7-30-24-18-14-12-16-22(24)28(3,4)26(30)20-10-9-11-21-27-29(5,6)23-17-13-15-19-25(23)31(27)8-2/h9-21H,7-8H2,1-6H3/q+1

Molecular Properties:
- Polar Surface Area: 6.2 Ų
- LogP: 6.9