ChemSpider 2D Image | Dibenzyl 4,4'-(2,8-dimethyldibenzo[b,f][1,5]diazocine-5,11(6H,12H)-diyl)bis(4-oxobutanoate) | C38H38N2O6

Dibenzyl 4,4'-(2,8-dimethyldibenzo[b,f][1,5]diazocine-5,11(6H,12H)-diyl)bis(4-oxobutanoate)

  • Molecular FormulaC38H38N2O6
  • Average mass618.718 Da
  • Monoisotopic mass618.273010 Da
  • ChemSpider ID321260

More details:

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

4,4'-(2,8-Diméthyldibenzo[b,f][1,5]diazocine-5,11(6H,12H)-diyl)bis(4-oxobutanoate) de dibenzyle [French] [ACD/IUPAC Name]
Dibenzo[b,f][1,5]diazocine-5,11(6H,12H)-dibutanoic acid, 2,8-dimethyl-γ,γ'-dioxo-, bis(phenylmethyl) ester
Dibenzo[b,f][1,5]diazocine-5,11(6H,12H)-dibutanoic acid, 2,8-dimethyl-γ,γ'-dioxo-, bis(phenylmethyl) ester [ACD/Index Name]
Dibenzyl 4,4'-(2,8-dimethyldibenzo[b,f][1,5]diazocine-5,11(6H,12H)-diyl)bis(4-oxobutanoate) [ACD/IUPAC Name]
Dibenzyl-4,4'-(2,8-dimethyldibenzo[b,f][1,5]diazocin-5,11(6H,12H)-diyl)bis(4-oxobutanoat) [German] [ACD/IUPAC Name]

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

AIDS132076 [DBID]
AIDS-132076 [DBID]
NCI60_007804 [DBID]
NSC625320 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 862.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 475.3±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 173.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.49
ACD/LogD (pH 5.5): 6.59
ACD/BCF (pH 5.5): 60569.07
ACD/KOC (pH 5.5): 92195.71
ACD/LogD (pH 7.4): 6.59
ACD/BCF (pH 7.4): 60571.93
ACD/KOC (pH 7.4): 92200.06
Polar Surface Area: 93 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 506.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement