ChemSpider 2D Image | 3-Phenyl-4-(phenylethynyl)cinnoline | C22H14N2

3-Phenyl-4-(phenylethynyl)cinnoline

  • Molecular FormulaC22H14N2
  • Average mass306.360 Da
  • Monoisotopic mass306.115692 Da
  • ChemSpider ID30854858

More details:

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

212778-67-1 [RN]
3-PHENYL-4-(2-PHENYLETHYNYL)CINNOLINE
3-Phenyl-4-(phenylethinyl)cinnolin [German] [ACD/IUPAC Name]
3-Phenyl-4-(phenylethynyl)cinnoline [ACD/IUPAC Name]
3-Phényl-4-(phényléthynyl)cinnoline [French] [ACD/IUPAC Name]
Cinnoline, 3-phenyl-4-(2-phenylethynyl)- [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: 422.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 179.8±19.5 °C
Index of Refraction: 1.719
Molar Refractivity: 96.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 7961.94
ACD/KOC (pH 5.5): 21574.23
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 7962.22
ACD/KOC (pH 7.4): 21575.01
Polar Surface Area: 26 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 244.9±5.0 cm3

Click to predict properties on the Chemicalize site


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