ChemSpider 2D Image | 1,9-Dibenzyl-5,13-bis(3-pyridinylmethyl)-1,2,5,6,9,10,13,14-octaazacyclohexadecane-3,7,11,15-tetrone | C34H38N10O4

1,9-Dibenzyl-5,13-bis(3-pyridinylmethyl)-1,2,5,6,9,10,13,14-octaazacyclohexadecane-3,7,11,15-tetrone

  • Molecular FormulaC34H38N10O4
  • Average mass650.730 Da
  • Monoisotopic mass650.307739 Da
  • ChemSpider ID30658781

More details:

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

1,2,5,6,9,10,13,14-Octaazacyclohexadecane-3,7,11,15-tetrone, 1,9-bis(phenylmethyl)-5,13-bis(3-pyridinylmethyl)- [ACD/Index Name]
1,9-Dibenzyl-5,13-bis(3-pyridinylmethyl)-1,2,5,6,9,10,13,14-octaazacyclohexadecan-3,7,11,15-tetron [German] [ACD/IUPAC Name]
1,9-Dibenzyl-5,13-bis(3-pyridinylmethyl)-1,2,5,6,9,10,13,14-octaazacyclohexadecane-3,7,11,15-tetrone [ACD/IUPAC Name]
1,9-Dibenzyl-5,13-bis(3-pyridinylméthyl)-1,2,5,6,9,10,13,14-octaazacyclohexadécane-3,7,11,15-tétrone [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 177.9±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -3.21
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.47
ACD/LogD (pH 7.4): -1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.14
Polar Surface Area: 155 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 517.9±3.0 cm3

Click to predict properties on the Chemicalize site


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