ChemSpider 2D Image | 7,7'-(3,3'-Dibenzyl-3H,3'H-4,4'-bi-1,2,3-triazole-5,5'-diyl)bis(4-methyl-2H-chromen-2-one) | C38H28N6O4

7,7'-(3,3'-Dibenzyl-3H,3'H-4,4'-bi-1,2,3-triazole-5,5'-diyl)bis(4-methyl-2H-chromen-2-one)

  • Molecular FormulaC38H28N6O4
  • Average mass632.667 Da
  • Monoisotopic mass632.217224 Da
  • ChemSpider ID24740719

More details:

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

2H-1-Benzopyran-2-one, 7,7'-[1,1'-bis(phenylmethyl)[5,5'-bi-1H-1,2,3-triazole]-4,4'-diyl]bis[4-methyl- [ACD/Index Name]
7,7'-(3,3'-Dibenzyl-3H,3'H-4,4'-bi-1,2,3-triazol-5,5'-diyl)bis(4-methyl-2H-chromen-2-on) [German] [ACD/IUPAC Name]
7,7'-(3,3'-Dibenzyl-3H,3'H-4,4'-bi-1,2,3-triazole-5,5'-diyl)bis(4-methyl-2H-chromen-2-one) [ACD/IUPAC Name]
7,7'-(3,3'-Dibenzyl-3H,3'H-4,4'-bi-1,2,3-triazole-5,5'-diyl)bis(4-méthyl-2H-chromén-2-one) [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: 857.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 472.4±37.1 °C
Index of Refraction: 1.717
Molar Refractivity: 181.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 5035.73
ACD/KOC (pH 5.5): 15542.80
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 5035.73
ACD/KOC (pH 7.4): 15542.80
Polar Surface Area: 114 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 461.0±7.0 cm3

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