ChemSpider 2D Image | 4,7-Diphenyl-4,5,6,7-tetrahydro-1,10,11-trithia-4a,6a-diaza-4,7-diboratricyclopenta[b,def,h]phenanthrene | C26H18B2N2S3

4,7-Diphenyl-4,5,6,7-tetrahydro-1,10,11-trithia-4a,6a-diaza-4,7-diboratricyclopenta[b,def,h]phenanthrene

  • Molecular FormulaC26H18B2N2S3
  • Average mass476.251 Da
  • Monoisotopic mass476.081818 Da
  • ChemSpider ID30653221

More details:

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

1,10,11-Trithia-4a,6a-diaza-4,7-diboratricyclopenta[b,def,h]phenanthrene, 4,5,6,7-tetrahydro-4,7-diphenyl- [ACD/Index Name]
4,7-Diphenyl-4,5,6,7-tetrahydro-1,10,11-trithia-4a,6a-diaza-4,7-diboratricyclopenta[b,def,h]phenanthren [German] [ACD/IUPAC Name]
4,7-Diphenyl-4,5,6,7-tetrahydro-1,10,11-trithia-4a,6a-diaza-4,7-diboratricyclopenta[b,def,h]phenanthrene [ACD/IUPAC Name]
4,7-Diphényl-4,5,6,7-tétrahydro-1,10,11-trithia-4a,6a-diaza-4,7-diboratricyclopenta[b,def,h]phénanthrène [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: 649.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.8±31.5 °C
Index of Refraction: 1.778
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 91 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 329.1±5.0 cm3

Click to predict properties on the Chemicalize site


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