ChemSpider 2D Image | (1,11-Dimethyl-6-phenyl-5H-dibenzo[d,f][1,3]diazepin-5-yl)(phenyl)methanethione | C28H22N2S

(1,11-Dimethyl-6-phenyl-5H-dibenzo[d,f][1,3]diazepin-5-yl)(phenyl)methanethione

  • Molecular FormulaC28H22N2S
  • Average mass418.553 Da
  • Monoisotopic mass418.150360 Da
  • ChemSpider ID30656503

More details:

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

(1,11-Dimethyl-6-phenyl-5H-dibenzo[d,f][1,3]diazepin-5-yl)(phenyl)methanethione [ACD/IUPAC Name]
(1,11-Diméthyl-6-phényl-5H-dibenzo[d,f][1,3]diazépin-5-yl)(phényl)méthanethione [French] [ACD/IUPAC Name]
(1,11-Dimethyl-6-phenyl-5H-dibenzo[d,f][1,3]diazepin-5-yl)(phenyl)methanthion [German] [ACD/IUPAC Name]
Methanethione, (1,11-dimethyl-6-phenyl-5H-dibenzo[d,f][1,3]diazepin-5-yl)phenyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 624.6±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.6±32.3 °C
Index of Refraction: 1.653
Molar Refractivity: 132.8±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 12151.05
ACD/KOC (pH 5.5): 17167.95
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 73371.62
ACD/KOC (pH 7.4): 103665.12
Polar Surface Area: 48 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 362.9±7.0 cm3

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