1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate
Basic information
- CAS
75664-01-6- Standard SMILES
CCCCCCCCCCCCN1C(=CC=CC2=[N+](CCCCCCCCCCCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
MPVFAUXPXHGRPQ-UHFFFAOYSA-M- Molecular formula
- C47H73ClN2O4
- Average molar mass
- 765.5 g/mol
- Monoisotopic mass
- 764.5258865
Overview
See also: carbocyanine dye DiIC12(3) (preferred).
Names & identifiers
- Preferred name
- 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate
- IUPAC
- 1-dodecyl-2-[3-(1-dodecyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole perchlorate
- English name
- 1,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate
- Molecular formula
- C47H73IN2
- Molecular weight
- 793.02
Names & synonyms
DilC12(3) (iodide)75664-01-61,1'-Didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate1-Dodecyl-2-[3-(1-dodecyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole;perchlorateDILC12(3)DIIC12(3)1,1'-didodecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate((DiIC12(3))
Database identifiers
- CAS
75664-01-6- PubChem CID
- 128581
- EC Number
- 887-558-6
Properties
Computed structural properties
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 24
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- form
- Dark red powder.
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