Molecule ID: 25137916

IUPAC Name: [7-dimethylazaniumylidene-1,9-bis[4-[(E,3E)-3-(3-methyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]nonan-3-ylidene]-dimethylazanium;tetraiodide

Description: The molecule is an organic iodide salt and a cyanine dye. It has a role as a fluorochrome. It contains a YoYo-3(4+).

SMILES: Cn1c(C=CC=C2C=CN(CCC(CCCC(CCN3C=CC(=CC=Cc4[o+]c5ccccc5n4C)c4ccccc43)=[N+](C)C)=[N+](C)C)c3ccccc32)[o+]c2ccccc21.[I-].[I-].[I-].[I-]

SELFIES: [C][N][C][Branch2][#Branch1][C][C][=C][C][=C][C][=C][N][Branch2][Branch1][=N][C][C][C][Branch2][Branch1][C][C][C][C][C][Branch2][Ring2][=Branch1][C][C][N][C][=C][C][=Branch2][Ring1][C][=C][C][=C][C][=O+1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1][=N+1][Branch1][C][C][C][=N+1][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][S][=O+1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Branch1][N].[I-1].[I-1].[I-1].[I-1]

InChI: InChI=1S/C53H58N6O2.4HI/c1-54(2)42(34-38-58-36-32-40(44-22-7-9-24-46(44)58)18-15-30-52-56(5)48-26-11-13-28-50(48)60-52)20-17-21-43(55(3)4)35-39-59-37-33-41(45-23-8-10-25-47(45)59)19-16-31-53-57(6)49-27-12-14-29-51(49)61-53;;;;/h7-16,18-19,22-33,36-37H,17,20-21,34-35,38-39H2,1-6H3;4*1H/q+4;;;;/p-4

Molecular Properties:
- Polar Surface Area: 38.7 Ų
- LogP: nan