ChemSpider 2D Image | 2,2'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis(3,5-diphenyl-2,3-dihydro-1H-tetrazole) | C40H34N8O2

2,2'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis(3,5-diphenyl-2,3-dihydro-1H-tetrazole)

  • Molecular FormulaC40H34N8O2
  • Average mass658.750 Da
  • Monoisotopic mass658.280457 Da
  • ChemSpider ID67210

More details:

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

1H-Tetrazole, 2,2'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[2,3-dihydro-3,5-diphenyl- [ACD/Index Name]
2,2'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis(3,5-diphenyl-2,3-dihydro-1H-tetrazol) [German] [ACD/IUPAC Name]
2,2'-(3,3'-Dimethoxy-4,4'-biphenyldiyl)bis(3,5-diphenyl-2,3-dihydro-1H-tetrazole) [ACD/IUPAC Name]
2,2'-(3,3'-Diméthoxy-4,4'-biphényldiyl)bis(3,5-diphényl-2,3-dihydro-1H-tétrazole) [French] [ACD/IUPAC Name]
2,2'-(3,3'-dimethoxybiphenyl-4,4'-diyl)bis(3,5-diphenyl-2,3-dihydro-1h-tetrazole)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 768.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 418.6±35.7 °C
Index of Refraction: 1.682
Molar Refractivity: 197.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 22.10
ACD/KOC (pH 5.5): 44.82
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 23.24
ACD/KOC (pH 7.4): 47.11
Polar Surface Area: 80 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 520.0±7.0 cm3

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