ChemSpider 2D Image | 9,9'-Bis(4-methoxybenzyl)-3,3'-dimethyl-6,6',7,7',8,8',9,9'-octahydro-1H,1'H-2,2'-bicarbazole-1,1',4,4',5,5'-hexone | C42H36N2O8

9,9'-Bis(4-methoxybenzyl)-3,3'-dimethyl-6,6',7,7',8,8',9,9'-octahydro-1H,1'H-2,2'-bicarbazole-1,1',4,4',5,5'-hexone

  • Molecular FormulaC42H36N2O8
  • Average mass696.744 Da
  • Monoisotopic mass696.247192 Da
  • ChemSpider ID9977484

More details:

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

[2,2'-Bi-1H-carbazole]-1,1',4,4',5,5'-hexone, 6,6',7,7',8,8',9,9'-octahydro-9,9'-bis[(4-methoxyphenyl)methyl]-3,3'-dimethyl- [ACD/Index Name]
9,9'-Bis(4-methoxybenzyl)-3,3'-dimethyl-6,6',7,7',8,8',9,9'-octahydro-1H,1'H-2,2'-bicarbazol-1,1',4,4',5,5'-hexon [German] [ACD/IUPAC Name]
9,9'-Bis(4-methoxybenzyl)-3,3'-dimethyl-6,6',7,7',8,8',9,9'-octahydro-1H,1'H-2,2'-bicarbazole-1,1',4,4',5,5'-hexone [ACD/IUPAC Name]
9,9'-Bis(4-méthoxybenzyl)-3,3'-diméthyl-6,6',7,7',8,8',9,9'-octahydro-1H,1'H-2,2'-bicarbazole-1,1',4,4',5,5'-hexone [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 921.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.1±3.0 kJ/mol
Flash Point: 511.2±34.3 °C
Index of Refraction: 1.700
Molar Refractivity: 190.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 20889.35
ACD/KOC (pH 5.5): 43031.66
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 20889.35
ACD/KOC (pH 7.4): 43031.66
Polar Surface Area: 131 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 493.6±7.0 cm3

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