ChemSpider 2D Image | N-(4-Phenoxyphenyl)-2-(3-pyridinyl)-6-(3,5,8-trimethyl-3,4-dihydro-1(2H)-quinolinyl)-4-pyrimidinamine | C33H31N5O

N-(4-Phenoxyphenyl)-2-(3-pyridinyl)-6-(3,5,8-trimethyl-3,4-dihydro-1(2H)-quinolinyl)-4-pyrimidinamine

  • Molecular FormulaC33H31N5O
  • Average mass513.632 Da
  • Monoisotopic mass513.252869 Da
  • ChemSpider ID121620902

More details:

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

4-Pyrimidinamine, 6-(3,4-dihydro-3,5,8-trimethyl-1(2H)-quinolinyl)-N-(4-phenoxyphenyl)-2-(3-pyridinyl)- [ACD/Index Name]
N-(4-Phenoxyphenyl)-2-(3-pyridinyl)-6-(3,5,8-trimethyl-3,4-dihydro-1(2H)-chinolinyl)-4-pyrimidinamin [German] [ACD/IUPAC Name]
N-(4-Phénoxyphényl)-2-(3-pyridinyl)-6-(3,5,8-triméthyl-3,4-dihydro-1(2H)-quinoléinyl)-4-pyrimidinamine [French] [ACD/IUPAC Name]
N-(4-Phenoxyphenyl)-2-(3-pyridinyl)-6-(3,5,8-trimethyl-3,4-dihydro-1(2H)-quinolinyl)-4-pyrimidinamine [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: 646.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 344.9±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 155.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 40485.84
ACD/KOC (pH 5.5): 65540.86
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 48644.70
ACD/KOC (pH 7.4): 78748.91
Polar Surface Area: 63 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 425.6±3.0 cm3

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