ChemSpider 2D Image | (2Z)-2-({(3E)-3-[(3-Ethyl-1,1-dimethyl-1H-benzo[e]indolium-2-yl)methylene]-2-hydroxy-4-oxo-1-cyclobuten-1-yl}methylene)-3,3-dimethyl-1-octyl-5-indolinecarboxylate | C41H46N2O4

(2Z)-2-({(3E)-3-[(3-Ethyl-1,1-dimethyl-1H-benzo[e]indolium-2-yl)methylene]-2-hydroxy-4-oxo-1-cyclobuten-1-yl}methylene)-3,3-dimethyl-1-octyl-5-indolinecarboxylate

  • Molecular FormulaC41H46N2O4
  • Average mass630.815 Da
  • Monoisotopic mass630.345764 Da
  • ChemSpider ID26286804

More details:

Featured data source
The Merck Index Online

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

(2Z)-2-({(3E)-3-[(3-Ethyl-1,1-dimethyl-1H-benzo[e]indolium-2-yl)methylen]-2-hydroxy-4-oxo-1-cyclobuten-1-yl}methylen)-3,3-dimethyl-1-octyl-5-indolincarboxylat [German] [ACD/IUPAC Name]
(2Z)-2-({(3E)-3-[(3-Ethyl-1,1-dimethyl-1H-benzo[e]indolium-2-yl)methylene]-2-hydroxy-4-oxo-1-cyclobuten-1-yl}methylene)-3,3-dimethyl-1-octyl-5-indolinecarboxylate [ACD/IUPAC Name]
(2Z)-2-({(3E)-3-[(3-Éthyl-1,1-diméthyl-1H-benzo[e]indolium-2-yl)méthylène]-2-hydroxy-4-oxo-1-cyclobutén-1-yl}méthylène)-3,3-diméthyl-1-octyl-5-indolinecarboxylate [French] [ACD/IUPAC Name]
1H-Benz[e]indolium, 2-[(E)-[3-[(Z)-(5-carboxy-1,3-dihydro-3,3-dimethyl-1-octyl-2H-indol-2-ylidene)methyl]-2-hydroxy-4-oxo-2-cyclobuten-1-ylidene]methyl]-3-ethyl-1,1-dimethyl-, inner salt [ACD/Index Name]
5-carboxy-2-[[3-[(2,3-dihydro-1,1-dimethyl-3-ethyl-1H-benzo[e]indol-2-ylidene)methyl]-2-hydroxy-4-oxo-2-cyclobuten-1-ylidene]methyl]-3,3-dimethyl-1-octyl-3H-indolium
Sensidizer SQ2
SQ02 dye

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

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#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations:
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ACD/LogD (pH 7.4):
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ACD/KOC (pH 7.4):
Polar Surface Area: 84 Å2
Polarizability:
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