ChemSpider 2D Image | 2-[2-Benzyl-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]-1-cyclohexyl-2,3,4,9-tetrahydro-1H-beta-carboline | C38H42N6

2-[2-Benzyl-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]-1-cyclohexyl-2,3,4,9-tetrahydro-1H-β-carboline

  • Molecular FormulaC38H42N6
  • Average mass582.780 Da
  • Monoisotopic mass582.347107 Da
  • ChemSpider ID121776065

More details:

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

1H-Pyrido[3,4-b]indole, 1-cyclohexyl-2,3,4,9-tetrahydro-2-[2-(phenylmethyl)-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]- [ACD/Index Name]
2-[2-Benzyl-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]-1-cyclohexyl-2,3,4,9-tetrahydro-1H-β-carbolin [German] [ACD/IUPAC Name]
2-[2-Benzyl-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]-1-cyclohexyl-2,3,4,9-tetrahydro-1H-β-carboline [ACD/IUPAC Name]
2-[2-Benzyl-6-(4-phényl-1-pipérazinyl)-4-pyrimidinyl]-1-cyclohexyl-2,3,4,9-tétrahydro-1H-β-carboline [French] [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: 812.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 445.0±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 178.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 962.31
ACD/KOC (pH 5.5): 907.97
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 1895.44
ACD/KOC (pH 7.4): 1788.42
Polar Surface Area: 51 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 477.4±3.0 cm3

Click to predict properties on the Chemicalize site


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