ChemSpider 2D Image | 2-[3-cyano-4-[4-[5-[4-(dihexylamino)phenyl]-2-thienyl]phenyl]-5,5-dimethyl-2-furylidene]propanedinitrile | C38H42N4OS

2-[3-cyano-4-[4-[5-[4-(dihexylamino)phenyl]-2-thienyl]phenyl]-5,5-dimethyl-2-furylidene]propanedinitrile

  • Molecular FormulaC38H42N4OS
  • Average mass602.831 Da
  • Monoisotopic mass602.307922 Da
  • ChemSpider ID24539647

More details:

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.5±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 178.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 12.45
ACD/LogD (pH 5.5): 11.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.37
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 112 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 515.0±5.0 cm3

Click to predict properties on the Chemicalize site


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