ChemSpider 2D Image | 2-{(1E,3E,5E,7E)-7-[3,3-Dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3H-indolium | C32H39N2O12S4

2-{(1E,3E,5E,7E)-7-[3,3-Dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3H-indolium

  • Molecular FormulaC32H39N2O12S4
  • Average mass771.918 Da
  • Monoisotopic mass771.138000 Da
  • ChemSpider ID8299063

  • Charge - Charge

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-{(1E,3E,5E,7E)-7-[3,3-Dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-yliden]-4-methyl-1,3,5-heptatrien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3H-indolium [German] [ACD/IUPAC Name]
2-{(1E,3E,5E,7E)-7-[3,3-Dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3H-indolium [ACD/IUPAC Name]
2-{(1E,3E,5E,7E)-7-[3,3-Diméthyl-5-sulfo-1-(2-sulfoéthyl)-1,3-dihydro-2H-indol-2-ylidène]-4-méthyl-1,3,5-heptatrién-1-yl}-3,3-diméthyl-5-sulfo-1-(2-sulfoéthyl)-3H-indolium [French] [ACD/IUPAC Name]
3H-Indolium, 2-[(1E,3E,5E,7E)-7-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl]-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 257 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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