ChemSpider 2D Image | 1,3-Bis(4-isopropoxyphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-1H-indole-2-carboxylic acid | C37H39NO4

1,3-Bis(4-isopropoxyphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-1H-indole-2-carboxylic acid

  • Molecular FormulaC37H39NO4
  • Average mass561.710 Da
  • Monoisotopic mass561.287903 Da
  • ChemSpider ID9766923

More details:

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

1,3-Bis(4-isopropoxyphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
1,3-Bis(4-isopropoxyphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
1H-Indole-2-carboxylic acid, 5-[4-(1,1-dimethylethyl)phenyl]-1,3-bis[4-(1-methylethoxy)phenyl]- [ACD/Index Name]
Acide 1,3-bis(4-isopropoxyphényl)-5-[4-(2-méthyl-2-propanyl)phényl]-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 643.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 343.0±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 168.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.47
ACD/LogD (pH 5.5): 7.88
ACD/BCF (pH 5.5): 315994.53
ACD/KOC (pH 5.5): 148307.16
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 6986.23
ACD/KOC (pH 7.4): 3278.88
Polar Surface Area: 61 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 39.0±7.0 dyne/cm
Molar Volume: 502.2±7.0 cm3

Click to predict properties on the Chemicalize site


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