1,1',3,3,3',3'-Hexamethylindodicarbocyanine
Basic information
- CAS
48221-03-0- Standard SMILES
CN1C(=CC=CC=CC2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21- InChIKey
BJWYLGUXZMRYGX-UHFFFAOYSA-N- Molecular formula
- C27H31N2+
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.248724
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 1,1',3,3,3',3'-Hexamethylindodicarbocyanine
- IUPAC
- 1,3,3-trimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indole
- English name
- 1,1',3,3,3',3'-hexamethylindodicarbocyanine
- Molecular weight
- 0
Names & synonyms
MGN62JGG9L1,1',3,3,3',3'-Hexamethylindodicarbocyanine48221-03-0RefChem:707231,1'-Hidc1,3,3-TRIMETHYL-2-(5-(1,3,3-TRIMETHYLINDOLIN-2-YLIDENE)PENTA-1,3-DIEN-1-YL)-3H-INDOL-1-IUMorb2944246SCHEMBL2754802SCHEMBL7167716SCHEMBL7167718DTXSID209640341,3,3-trimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indole
Show more names
Cy5 DIMElipo Cy5(Me2)lipo Cy5 DiMeCyanine5 DIME1,3,3-Trimethyl-2-[5-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)-1,3-pentadienyl]-3H-indolium2-[5-(1,3-Dihydro-1,3,3-trimethyl-2H-indole-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-3H-indolium3H-Indolium,2-[5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-1,3,3-trimethyl-1,3,3-Trimethyl-2-[5-(2,3-dihydro-1,3,3-trimethyl-1H-indole-2-ylidene)-1,3-pentadienyl]-3H-indole-1-ium1,3,3-Trimethyl-2-[5-(1,3,3-trimethyl-2,3-dihydro-1H-indole-2-ylidene)-1,3-pentadienyl]-3H-indole-1-ium
1,1,3,3,3',3'-HEXAMETHYL-INDODICARBOCYANINE IODIDE1,3,3-Trimethyl-2-[5-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)penta-1,3-dien-1-yl]-3H-indol-1-ium2-[(1E,3E,5E)-5-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-1,3,3-trimethyl-3H-indolium2-[5-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-1,3,3-trimethyl-3H-indolium3H-Indolium, 2-[(1E,3E,5E)-5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-1,3,3-trimethyl-3H-Indolium, 2-[5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-1,3,3-trimethyl-3H-Indolium, 2-[5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-, (E,E,E)-
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 1
- Complexity
- 689
Physicochemical properties
- FDA UNII
- 62 JGG9L · MGN62JGG9L
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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