ChemSpider 2D Image | [3-Cyano-4-{(1E,3E,5E,7E)-7-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl}-5,5-dimethyl-2(5H)-furanylidene]malononitrile | C29H28N4O2

[3-Cyano-4-{(1E,3E,5E,7E)-7-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl}-5,5-dimethyl-2(5H)-furanylidene]malononitrile

  • Molecular FormulaC29H28N4O2
  • Average mass464.558 Da
  • Monoisotopic mass464.221222 Da
  • ChemSpider ID30657136

  • Double-bond stereo - Double-bond stereo

More details:

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

[3-Cyan-4-{(1E,3E,5E,7E)-7-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-yliden]-1,3,5-heptatrien-1-yl}-5,5-dimethyl-2(5H)-furanyliden]malononitril [German] [ACD/IUPAC Name]
[3-Cyano-4-{(1E,3E,5E,7E)-7-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl}-5,5-dimethyl-2(5H)-furanylidene]malononitrile [ACD/IUPAC Name]
[3-Cyano-4-{(1E,3E,5E,7E)-7-[1-(2-hydroxyéthyl)-3,3-diméthyl-1,3-dihydro-2H-indol-2-ylidène]-1,3,5-heptatrién-1-yl}-5,5-diméthyl-2(5H)-furanylidène]malononitrile [French] [ACD/IUPAC Name]
Propanedinitrile, 2-[3-cyano-4-[(1E,3E,5E,7E)-7-[1,3-dihydro-1-(2-hydroxyethyl)-3,3-dimethyl-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-5,5-dimethyl-2(5H)-furanylidene]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 615.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.2±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 738.83
ACD/KOC (pH 5.5): 3934.64
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 738.85
ACD/KOC (pH 7.4): 3934.72
Polar Surface Area: 104 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 377.3±5.0 cm3

Click to predict properties on the Chemicalize site


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