ChemSpider 2D Image | 1-(4-Anilinophenyl)-3-[(2-butoxyphenyl)amino]-4-(2,4-difluorophenyl)-1H-pyrrole-2,5-dione | C32H27F2N3O3

1-(4-Anilinophenyl)-3-[(2-butoxyphenyl)amino]-4-(2,4-difluorophenyl)-1H-pyrrole-2,5-dione

  • Molecular FormulaC32H27F2N3O3
  • Average mass539.572 Da
  • Monoisotopic mass539.202026 Da
  • ChemSpider ID118658364

More details:

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

1-(4-Anilinophenyl)-3-[(2-butoxyphenyl)amino]-4-(2,4-difluorophenyl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
1-(4-Anilinophényl)-3-[(2-butoxyphényl)amino]-4-(2,4-difluorophényl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
1-(4-Anilinophenyl)-3-[(2-butoxyphenyl)amino]-4-(2,4-difluorphenyl)-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
1H-Pyrrole-2,5-dione, 3-[(2-butoxyphenyl)amino]-4-(2,4-difluorophenyl)-1-[4-(phenylamino)phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 679.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.4±31.5 °C
Index of Refraction: 1.666
Molar Refractivity: 149.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10762.56
ACD/KOC (pH 5.5): 26768.89
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10762.88
ACD/KOC (pH 7.4): 26769.69
Polar Surface Area: 71 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 403.3±3.0 cm3

Click to predict properties on the Chemicalize site


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