ChemSpider 2D Image | 4,4',4''-Methanetriyltris(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) | C34H34N6O3

4,4',4''-Methanetriyltris(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)

  • Molecular FormulaC34H34N6O3
  • Average mass574.672 Da
  • Monoisotopic mass574.269226 Da
  • ChemSpider ID3534157

More details:

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

3H-Pyrazol-3-one, 4,4',4''-methylidynetris[1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4,4',4''-Methanetriyltris(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) [ACD/IUPAC Name]
4,4',4''-Méthanetriyltris(1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one) [French] [ACD/IUPAC Name]
4,4',4''-Methantriyltris(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on) [German] [ACD/IUPAC Name]
4,4',4''-methanetriyltris(1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one)
4-[bis(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))methyl]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 675.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 264.9±26.6 °C
Index of Refraction: 1.657
Molar Refractivity: 164.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.15
ACD/KOC (pH 5.5): 207.88
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.15
ACD/KOC (pH 7.4): 207.89
Polar Surface Area: 71 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 446.6±3.0 cm3

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