ChemSpider 2D Image | 7,8-Dimethoxy-5-(2-nitrophenyl)-1,3-diphenyl-3H-pyrazolo[3,4-c]isoquinoline | C30H22N4O4

7,8-Dimethoxy-5-(2-nitrophenyl)-1,3-diphenyl-3H-pyrazolo[3,4-c]isoquinoline

  • Molecular FormulaC30H22N4O4
  • Average mass502.520 Da
  • Monoisotopic mass502.164093 Da
  • ChemSpider ID1661774

More details:

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

3H-Pyrazolo[3,4-c]isoquinoline, 7,8-dimethoxy-5-(2-nitrophenyl)-1,3-diphenyl- [ACD/Index Name]
7,8-Dimethoxy-5-(2-nitrophenyl)-1,3-diphenyl-3H-pyrazolo[3,4-c]isochinolin [German] [ACD/IUPAC Name]
7,8-Diméthoxy-5-(2-nitrophényl)-1,3-diphényl-3H-pyrazolo[3,4-c]isoquinoléine [French] [ACD/IUPAC Name]
7,8-Dimethoxy-5-(2-nitrophenyl)-1,3-diphenyl-3H-pyrazolo[3,4-c]isoquinoline [ACD/IUPAC Name]

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

ZINC02869779 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 652.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.7±31.5 °C
Index of Refraction: 1.679
Molar Refractivity: 143.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13071.46
ACD/KOC (pH 5.5): 30762.96
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13074.08
ACD/KOC (pH 7.4): 30769.14
Polar Surface Area: 95 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 380.6±7.0 cm3

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