ChemSpider 2D Image | 2-(3,4-Dimethylphenyl)-4-({[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]amino}methylene)-1,3(2H,4H)-isoquinolinedione | C34H28N4O2

2-(3,4-Dimethylphenyl)-4-({[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]amino}methylene)-1,3(2H,4H)-isoquinolinedione

  • Molecular FormulaC34H28N4O2
  • Average mass524.612 Da
  • Monoisotopic mass524.221252 Da
  • ChemSpider ID5241717

More details:

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

1,3(2H,4H)-Isoquinolinedione, 2-(3,4-dimethylphenyl)-4-[[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]amino]methylene]- [ACD/Index Name]
2-(3,4-Dimethylphenyl)-4-({[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]amino}methylen)-1,3(2H,4H)-isochinolindion [German] [ACD/IUPAC Name]
2-(3,4-Diméthylphényl)-4-({[3-(4-méthylphényl)-1-phényl-1H-pyrazol-5-yl]amino}méthylène)-1,3(2H,4H)-isoquinoléinedione [French] [ACD/IUPAC Name]
2-(3,4-Dimethylphenyl)-4-({[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]amino}methylene)-1,3(2H,4H)-isoquinolinedione [ACD/IUPAC 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: 762.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.0±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 159.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 45550.54
ACD/KOC (pH 5.5): 75183.82
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 45553.29
ACD/KOC (pH 7.4): 75188.36
Polar Surface Area: 67 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 430.9±7.0 cm3

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