ChemSpider 2D Image | 3-{[4-(Diethylamino)phenyl]amino}-4-(2,4-difluorophenyl)-1-(2-phenoxyphenyl)-1H-pyrrole-2,5-dione | C32H27F2N3O3

3-{[4-(Diethylamino)phenyl]amino}-4-(2,4-difluorophenyl)-1-(2-phenoxyphenyl)-1H-pyrrole-2,5-dione

  • Molecular FormulaC32H27F2N3O3
  • Average mass539.572 Da
  • Monoisotopic mass539.202026 Da
  • ChemSpider ID118707513

More details:

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

1H-Pyrrole-2,5-dione, 3-[[4-(diethylamino)phenyl]amino]-4-(2,4-difluorophenyl)-1-(2-phenoxyphenyl)- [ACD/Index Name]
3-{[4-(Diethylamino)phenyl]amino}-4-(2,4-difluorophenyl)-1-(2-phenoxyphenyl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-{[4-(Diéthylamino)phényl]amino}-4-(2,4-difluorophényl)-1-(2-phénoxyphényl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
3-{[4-(Diethylamino)phenyl]amino}-4-(2,4-difluorphenyl)-1-(2-phenoxyphenyl)-1H-pyrrol-2,5-dion [German] [ACD/IUPAC 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: 641.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.8±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 150.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 109.93
ACD/KOC (pH 5.5): 244.13
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 3695.67
ACD/KOC (pH 7.4): 8207.58
Polar Surface Area: 62 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 405.4±3.0 cm3

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