ChemSpider 2D Image | 6-[4-(Benzyloxy)-2-hydroxyphenyl]-2-(1-benzyl-4-piperidinyl)-8-methyl-3a,4,6,11,11a,11b-hexahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone | C42H40N2O6

6-[4-(Benzyloxy)-2-hydroxyphenyl]-2-(1-benzyl-4-piperidinyl)-8-methyl-3a,4,6,11,11a,11b-hexahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone

  • Molecular FormulaC42H40N2O6
  • Average mass668.777 Da
  • Monoisotopic mass668.288635 Da
  • ChemSpider ID2764667

More details:

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

1H-Naphth[2,3-e]isoindole-1,3,7,10(2H)-tetrone, 3a,4,6,11,11a,11b-hexahydro-6-[2-hydroxy-4-(phenylmethoxy)phenyl]-8-methyl-2-[1-(phenylmethyl)-4-piperidinyl]- [ACD/Index Name]
6-[4-(Benzyloxy)-2-hydroxyphenyl]-2-(1-benzyl-4-piperidinyl)-8-methyl-3a,4,6,11,11a,11b-hexahydro-1H-naphtho[2,3-e]isoindol-1,3,7,10(2H)-tetron [German] [ACD/IUPAC Name]
6-[4-(Benzyloxy)-2-hydroxyphenyl]-2-(1-benzyl-4-piperidinyl)-8-methyl-3a,4,6,11,11a,11b-hexahydro-1H-naphtho[2,3-e]isoindole-1,3,7,10(2H)-tetrone [ACD/IUPAC Name]
6-[4-(Benzyloxy)-2-hydroxyphényl]-2-(1-benzyl-4-pipéridinyl)-8-méthyl-3a,4,6,11,11a,11b-hexahydro-1H-naphto[2,3-e]isoindole-1,3,7,10(2H)-tétrone [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: 818.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 449.0±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 187.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 335.33
ACD/KOC (pH 5.5): 591.00
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 14457.27
ACD/KOC (pH 7.4): 25480.37
Polar Surface Area: 104 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 487.8±5.0 cm3

Click to predict properties on the Chemicalize site


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