ChemSpider 2D Image | 2-[6-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-(4-methylphenyl)-4-pyrimidinyl]-4,4-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline | C39H40N4O2

2-[6-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-(4-methylphenyl)-4-pyrimidinyl]-4,4-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC39H40N4O2
  • Average mass596.760 Da
  • Monoisotopic mass596.315125 Da
  • ChemSpider ID121874631

More details:

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

2-[6-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)-2-(4-methylphenyl)-4-pyrimidinyl]-4,4-dimethyl-1-phenyl-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
2-[6-(6,7-Diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)-2-(4-méthylphényl)-4-pyrimidinyl]-4,4-diméthyl-1-phényl-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
2-[6-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-(4-methylphenyl)-4-pyrimidinyl]-4,4-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 2-[6-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-2-(4-methylphenyl)-4-pyrimidinyl]-1,2,3,4-tetrahydro-4,4-dimethyl-1-phenyl- [ACD/Index 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: 708.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.4±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 179.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.05
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 4099.52
ACD/KOC (pH 5.5): 3577.26
ACD/LogD (pH 7.4): 7.25
ACD/BCF (pH 7.4): 146311.33
ACD/KOC (pH 7.4): 127671.90
Polar Surface Area: 51 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 512.2±3.0 cm3

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