ChemSpider 2D Image | 8-(3-Chlorophenyl)-7-(4-heptylphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione | C28H30ClN5O2

8-(3-Chlorophenyl)-7-(4-heptylphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione

  • Molecular FormulaC28H30ClN5O2
  • Average mass504.023 Da
  • Monoisotopic mass503.208801 Da
  • ChemSpider ID21664280

More details:

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

1H-Imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-(3-chlorophenyl)-7-(4-heptylphenyl)-1,3-dimethyl- [ACD/Index Name]
8-(3-Chlorophenyl)-7-(4-heptylphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione [ACD/IUPAC Name]
8-(3-Chlorophényl)-7-(4-heptylphényl)-1,3-diméthyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione [French] [ACD/IUPAC Name]
8-(3-Chlorphenyl)-7-(4-heptylphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purin-2,4(3H,8H)-dion [German] [ACD/IUPAC Name]
1-(3-Chloro-phenyl)-2-(4-heptyl-phenyl)-5,7-dimethyl-1H,7H-1,3a,5,7,8-pentaaza-cyclopenta[a]indene-4,6-dione
8-(3-chlorophenyl)-7-(4-heptylphenyl)-1,3-dimethyl-1,3,5-trihydro-4-imidazolino[1,2-h]purine-2,4-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.6±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 143.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.09
ACD/LogD (pH 5.5): 7.89
ACD/BCF (pH 5.5): 540792.69
ACD/KOC (pH 5.5): 399186.44
ACD/LogD (pH 7.4): 8.05
ACD/BCF (pH 7.4): 768863.06
ACD/KOC (pH 7.4): 567536.75
Polar Surface Area: 63 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 389.3±7.0 cm3

Click to predict properties on the Chemicalize site


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