ChemSpider 2D Image | 6-[(4'-Ethynyl-4-biphenylyl)ethynyl]-2-methyl-1H-benzo[de]isoquinoline-1,3(2H)-dione | C29H17NO2

6-[(4'-Ethynyl-4-biphenylyl)ethynyl]-2-methyl-1H-benzo[de]isoquinoline-1,3(2H)-dione

  • Molecular FormulaC29H17NO2
  • Average mass411.451 Da
  • Monoisotopic mass411.125916 Da
  • ChemSpider ID30659673

More details:

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

1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-[2-(4'-ethynyl[1,1'-biphenyl]-4-yl)ethynyl]-2-methyl- [ACD/Index Name]
6-[(4'-Ethinyl-4-biphenylyl)ethinyl]-2-methyl-1H-benzo[de]isochinolin-1,3(2H)-dion [German] [ACD/IUPAC Name]
6-[(4'-Éthynyl-4-biphénylyl)éthynyl]-2-méthyl-1H-benzo[de]isoquinoléine-1,3(2H)-dione [French] [ACD/IUPAC Name]
6-[(4'-Ethynyl-4-biphenylyl)ethynyl]-2-methyl-1H-benzo[de]isoquinoline-1,3(2H)-dione [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: 624.4±50.0 °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: 281.2±22.5 °C
Index of Refraction: 1.749
Molar Refractivity: 124.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 10978.68
ACD/KOC (pH 5.5): 27152.82
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 10978.68
ACD/KOC (pH 7.4): 27152.82
Polar Surface Area: 37 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 304.6±5.0 cm3

Click to predict properties on the Chemicalize site


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