ChemSpider 2D Image | 4,4'-(1-Naphthylmethylene)bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) | C33H30N4O2

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

  • Molecular FormulaC33H30N4O2
  • Average mass514.617 Da
  • Monoisotopic mass514.236877 Da
  • ChemSpider ID2111645

More details:

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

3H-Pyrazol-3-one, 4,4'-(1-naphthalenylmethylene)bis[1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4,4'-(1-Naphthylmethylen)bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on) [German] [ACD/IUPAC Name]
4,4'-(1-Naphthylmethylene)bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) [ACD/IUPAC Name]
4,4'-(1-Naphtylméthylène)bis(1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one) [French] [ACD/IUPAC Name]
4,4'-(naphthalen-1-ylmethylene)bis(1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 663.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 273.5±26.6 °C
Index of Refraction: 1.681
Molar Refractivity: 154.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 545.91
ACD/KOC (pH 5.5): 3168.33
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 545.92
ACD/KOC (pH 7.4): 3168.40
Polar Surface Area: 47 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 407.3±3.0 cm3

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