Found 30 results

Search term: MF = 'C_{35}H_{31}NO_{3}'
ChemSpider 2D Image | (6Z)-6-({[(2S)-1,4-Dihydroxy-1,1,4,4-tetraphenyl-2-butanyl]amino}methylene)-2,4-cyclohexadien-1-one | C35H31NO3

(6Z)-6-({[(2S)-1,4-Dihydroxy-1,1,4,4-tetraphenyl-2-butanyl]amino}methylene)-2,4-cyclohexadien-1-one

  • Molecular FormulaC35H31NO3
  • Average mass513.625 Da
  • Monoisotopic mass513.230408 Da
  • ChemSpider ID9061021

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6Z)-6-({[(2S)-1,4-Dihydroxy-1,1,4,4-tetraphenyl-2-butanyl]amino}methylen)-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(6Z)-6-({[(2S)-1,4-Dihydroxy-1,1,4,4-tetraphenyl-2-butanyl]amino}methylene)-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
(6Z)-6-({[(2S)-1,4-Dihydroxy-1,1,4,4-tétraphényl-2-butanyl]amino}méthylène)-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 6-[[[(1S)-3-hydroxy-1-(hydroxydiphenylmethyl)-3,3-diphenylpropyl]amino]methylene]-, (6Z)- [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: 720.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.7±32.9 °C
Index of Refraction: 1.683
Molar Refractivity: 155.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.98
ACD/LogD (pH 5.5): 6.30
ACD/BCF (pH 5.5): 36247.81
ACD/KOC (pH 5.5): 63809.86
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 36314.22
ACD/KOC (pH 7.4): 63926.75
Polar Surface Area: 70 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 409.8±3.0 cm3

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