Found 18 results

Search term: MF = 'C_{33}H_{29}N_{3}'
ChemSpider 2D Image | 4-[(2S,5R)-2,6-Diphenyl-3-(3-pyridinylmethyl)-3-azatricyclo[5.1.1.0~1,5~]non-7-yl]benzonitrile | C33H29N3

4-[(2S,5R)-2,6-Diphenyl-3-(3-pyridinylmethyl)-3-azatricyclo[5.1.1.01,5]non-7-yl]benzonitrile

  • Molecular FormulaC33H29N3
  • Average mass467.603 Da
  • Monoisotopic mass467.236145 Da
  • ChemSpider ID24819042

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

4-[(2S,5R)-2,6-Diphenyl-3-(3-pyridinylmethyl)-3-azatricyclo[5.1.1.01,5]non-7-yl]benzonitril [German] [ACD/IUPAC Name]
4-[(2S,5R)-2,6-Diphenyl-3-(3-pyridinylmethyl)-3-azatricyclo[5.1.1.01,5]non-7-yl]benzonitrile [ACD/IUPAC Name]
4-[(2S,5R)-2,6-Diphényl-3-(3-pyridinylméthyl)-3-azatricyclo[5.1.1.01,5]non-7-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[(3S,6aR)-tetrahydro-3,6-diphenyl-2-(3-pyridinylmethyl)-1H-3a,5-methanocyclopenta[c]pyrrol-5(4H)-yl]- [ACD/Index 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: 627.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.2±31.5 °C
Index of Refraction: 1.699
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 195.02
ACD/KOC (pH 5.5): 553.27
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 4771.87
ACD/KOC (pH 7.4): 13537.79
Polar Surface Area: 40 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 369.6±5.0 cm3

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