ChemSpider 2D Image | {3-Cyano-4-[(Z)-2-(5-{(Z)-2-[4-(diethylamino)phenyl]vinyl}-2-thienyl)vinyl]-5,5-dimethyl-2(5H)-furanylidene}malononitrile | C28H26N4OS

{3-Cyano-4-[(Z)-2-(5-{(Z)-2-[4-(diethylamino)phenyl]vinyl}-2-thienyl)vinyl]-5,5-dimethyl-2(5H)-furanylidene}malononitrile

  • Molecular FormulaC28H26N4OS
  • Average mass466.597 Da
  • Monoisotopic mass466.182739 Da
  • ChemSpider ID30655099

  • Double-bond stereo - Double-bond stereo

More details:

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

{3-Cyan-4-[(Z)-2-(5-{(Z)-2-[4-(diethylamino)phenyl]vinyl}-2-thienyl)vinyl]-5,5-dimethyl-2(5H)-furanyliden}malononitril [German] [ACD/IUPAC Name]
{3-Cyano-4-[(Z)-2-(5-{(Z)-2-[4-(diethylamino)phenyl]vinyl}-2-thienyl)vinyl]-5,5-dimethyl-2(5H)-furanylidene}malononitrile [ACD/IUPAC Name]
{3-Cyano-4-[(Z)-2-(5-{(Z)-2-[4-(diéthylamino)phényl]vinyl}-2-thiényl)vinyl]-5,5-diméthyl-2(5H)-furanylidène}malononitrile [French] [ACD/IUPAC Name]
Propanedinitrile, 2-[3-cyano-4-[(Z)-2-[5-[(Z)-2-[4-(diethylamino)phenyl]ethenyl]-2-thienyl]ethenyl]-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: 600.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 317.0±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 1747.92
ACD/KOC (pH 5.5): 3779.45
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 15761.05
ACD/KOC (pH 7.4): 34079.45
Polar Surface Area: 112 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 379.7±5.0 cm3

Click to predict properties on the Chemicalize site


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