Neocyanine
1-ethyl-4-[1-(1-ethylquinolin-1-ium-4-yl)-5-(1-ethylquinolin-4-ylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide
Also Known As: ALLOCYANINE|Cryptocyanine O.A.1|4,4'-[5-(1-Ethylquinolin-4(1H)-ylidene)penta-1,3-diene-1,3-diyl]bis(1-ethylquinolin-1-ium) diiodide
CAS: 4846-34-8
| Molecular Formula | C38H37I2N3 |
|---|---|
| Molecular Weight | 789.10767 g/mol |
| LogP | 2.1498 |
| Topological Polar Surface Area | 11.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 789.10767 |
| Monoisotopic Mass | 789.10767 |
| Heavy Atoms | 43 |
| Complexity | 921.0 |
Chemical Identifiers
| CAS Number | 4846-34-8 |
|---|---|
| SMILES | CCN1C=CC(=CC=C(C=CC2=CC=[N+](C3=CC=CC=C23)CC)C4=CC=[N+](C5=CC=CC=C45)CC)C6=CC=CC=C61.[I-].[I-] |
| InChIKey | RJOBRLLSEIIUFB-UHFFFAOYSA-L |
Product Overview
Neocyanine (CAS 4846-34-8), with molecular formula C38H37I2N3 and molecular weight 789.10767 g/mol. IUPAC: 1-ethyl-4-[1-(1-ethylquinolin-1-ium-4-yl)-5-(1-ethylquinolin-4-ylidene)penta-1,3-dien-3-yl]quinolin-1-ium diiodide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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