ChemSpider 2D Image | 2-{7-[1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene]-1,3,5-heptatrien-1-yl}-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indolium | C43H49N2O6S2

2-{7-[1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene]-1,3,5-heptatrien-1-yl}-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indolium

  • Molecular FormulaC43H49N2O6S2
  • Average mass753.988 Da
  • Monoisotopic mass753.302673 Da
  • ChemSpider ID18109
  • Charge - Charge


More details:






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

1H-Benz[e]indolium, 2-[7-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrien-1-yl]-1,1-dimethyl-3-(4-sulfobutyl)- [ACD/Index Name]
2-{7-[1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-yliden]-1,3,5-heptatrien-1-yl}-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indolium [German] [ACD/IUPAC Name]
2-{7-[1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene]-1,3,5-heptatrien-1-yl}-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indolium [ACD/IUPAC Name]
2-{7-[1,1-Diméthyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidène]-1,3,5-heptatrién-1-yl}-1,1-diméthyl-3-(4-sulfobutyl)-1H-benzo[e]indolium [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations:
ACD/LogP:
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ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
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ACD/KOC (pH 7.4):
Polar Surface Area: 132 Å2
Polarizability:
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