Neocyanine
[CAS# 4846-34-8]

Identification

• Name: Neocyanine
• Synonyms: 1-Ethyl-4-[(1E,3Z,5E)-1-(1-Ethylquinolin-1-Ium-4-Yl)-5-(1-Ethylquinolin-4-Ylidene)Penta-1,3-Dien-3-Yl]Quinolin-1-Ium Diiodide; 1-Ethyl-4-[(1E,3E,5E)-1-(1-Ethylquinolin-1-Ium-4-Yl)-5-(1-Ethylquinolin-4-Ylidene)Penta-1,3-Dien-3-Yl]Quinolin-1-Ium Diiodide; 1-Ethyl-4-[(Z,3Z)-1-[(E)-2-(1-Ethylquinolin-1-Ium-4-Yl)Vinyl]-3-(1-Ethyl-4-Quinolylidene)Prop-1-Enyl]Quinolin-1-Ium Diiodide
• Molecular Formula: C₃₈H₃₇I₂N₃
• Molecular Weight: 789.54
• CAS Registry Number: 4846-34-8
• EINECS: 225-436-0
• SMILES: C1=CC=CC2=[N+](CC)C=CC(=C12)C(=CC=C3C4=C(N(CC)C=C3)C=CC=C4)C=CC5=C6C(=[N+](CC)C=C5)C=CC=C6.[I-].[I-]
• InChI: 1S/C38H37N3.2HI/c1-4-39-26-23-30(33-13-7-10-16-36(33)39)21-19-29(32-25-28-41(6-3)38-18-12-9-15-35(32)38)20-22-31-24-27-40(5-2)37-17-11-8-14-34(31)37;;/h7-28H,4-6H2,1-3H3;2*1H/q+2;;/p-2
• InChIKey: RJOBRLLSEIIUFB-UHFFFAOYSA-L