ChemSpider 2D Image | (4bS,6aS,9aS,10aS,10bR)-2-Methoxy-6a-methyl-8-phenyl-4b,5,6,6a,8,9,9a,10,10a,10b,11,12-dodecahydronaphtho[2',1':4,5]indeno[1,2-c]pyrazole | C26H30N2O

(4bS,6aS,9aS,10aS,10bR)-2-Methoxy-6a-methyl-8-phenyl-4b,5,6,6a,8,9,9a,10,10a,10b,11,12-dodecahydronaphtho[2',1':4,5]indeno[1,2-c]pyrazole

  • Molecular FormulaC26H30N2O
  • Average mass386.529 Da
  • Monoisotopic mass386.235809 Da
  • ChemSpider ID26231344

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4bS,6aS,9aS,10aS,10bR)-2-Methoxy-6a-methyl-8-phenyl-4b,5,6,6a,8,9,9a,10,10a,10b,11,12-dodecahydronaphtho[2',1':4,5]indeno[1,2-c]pyrazol [German] [ACD/IUPAC Name]
(4bS,6aS,9aS,10aS,10bR)-2-Methoxy-6a-methyl-8-phenyl-4b,5,6,6a,8,9,9a,10,10a,10b,11,12-dodecahydronaphtho[2',1':4,5]indeno[1,2-c]pyrazole [ACD/IUPAC Name]
(4bS,6aS,9aS,10aS,10bR)-2-Méthoxy-6a-méthyl-8-phényl-4b,5,6,6a,8,9,9a,10,10a,10b,11,12-dodécahydronaphto[2',1':4,5]indéno[1,2-c]pyrazole [French] [ACD/IUPAC Name]
Naphth[2',1':4,5]indeno[1,2-c]pyrazole, 4b,5,6,6a,8,9,9a,10,10a,10b,11,12-dodecahydro-2-methoxy-6a-methyl-8-phenyl-, (4bS,6aS,9aS,10aS,10bR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.5±32.9 °C
Index of Refraction: 1.682
Molar Refractivity: 115.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3585.82
ACD/KOC (pH 5.5): 11036.68
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5058.83
ACD/KOC (pH 7.4): 15570.44
Polar Surface Area: 25 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 305.4±7.0 cm3

Click to predict properties on the Chemicalize site


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