DiOC6
(2Z)-3-hexyl-2-[(E)-3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
Also Known As: DiOC6|3,3'-Dihexyloxacarbocyanine|3-Hexyl-2-(3-(3-hexyl-2(3H)-benzoxazolylidene)-1-propenyl)benzoxazolium|3-hexyl-2-[3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole|(2Z)-3-hexyl-2-[(E)-3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
CAS: 54501-79-0
| Molecular Formula | C29H37N2O2+ |
|---|---|
| Molecular Weight | 445.2855 g/mol |
| LogP | 7.6345 |
| Topological Polar Surface Area | 29.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 445.2855 |
| Monoisotopic Mass | 445.2855 |
| Heavy Atoms | 33 |
| Complexity | 1095.9498 |
Chemical Identifiers
| CAS Number | 54501-79-0 |
|---|---|
| SMILES | CCCCCCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCCCCC |
Product Overview
DiOC6 (CAS 54501-79-0), with molecular formula C29H37N2O2+ and molecular weight 445.2855 g/mol. IUPAC: (2Z)-3-hexyl-2-[(E)-3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole.
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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