ChemSpider 2D Image | 6-(4-Hydroxy-2-methoxyphenyl)-8-[(4-methylphenyl)amino]-6a-phenyl-2-(2-thienylmethyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone | C39H35N3O6S

6-(4-Hydroxy-2-methoxyphenyl)-8-[(4-methylphenyl)amino]-6a-phenyl-2-(2-thienylmethyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone

  • Molecular FormulaC39H35N3O6S
  • Average mass673.777 Da
  • Monoisotopic mass673.224670 Da
  • ChemSpider ID3344776

More details:

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

6-(4-Hydroxy-2-methoxyphenyl)-8-[(4-methylphenyl)amino]-6a-phenyl-2-(2-thienylmethyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindol-1,3,7,9(2H,8H)-tetron [German] [ACD/IUPAC Name]
6-(4-Hydroxy-2-methoxyphenyl)-8-[(4-methylphenyl)amino]-6a-phenyl-2-(2-thienylmethyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone [ACD/IUPAC Name]
6-(4-Hydroxy-2-méthoxyphényl)-8-[(4-méthylphényl)amino]-6a-phényl-2-(2-thiénylméthyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tétrone [French] [ACD/IUPAC Name]
Isoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone, 3a,4,6,6a,9a,10,10a,10b-octahydro-6-(4-hydroxy-2-methoxyphenyl)-8-[(4-methylphenyl)amino]-6a-phenyl-2-(2-thienylmethyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 855.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.6±3.0 kJ/mol
Flash Point: 471.2±37.1 °C
Index of Refraction: 1.725
Molar Refractivity: 184.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5043.20
ACD/KOC (pH 5.5): 15558.82
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 5011.90
ACD/KOC (pH 7.4): 15462.27
Polar Surface Area: 144 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 77.6±5.0 dyne/cm
Molar Volume: 463.9±5.0 cm3

Click to predict properties on the Chemicalize site


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