ChemSpider 2D Image | 2,2':6',2''-Terpyridin-4'-ylmethyl 3,5-bis[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate | C42H37N5O8

2,2':6',2''-Terpyridin-4'-ylmethyl 3,5-bis[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate

  • Molecular FormulaC42H37N5O8
  • Average mass739.772 Da
  • Monoisotopic mass739.264221 Da
  • ChemSpider ID9345213

More details:

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

2,2':6',2''-Terpyridin-4'-ylmethyl 3,5-bis[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate [ACD/IUPAC Name]
2,2':6',2''-Terpyridin-4'-ylmethyl-3,5-bis[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoat [German] [ACD/IUPAC Name]
3,5-Bis[(3,5-diméthoxybenzoyl)amino]-4-méthylbenzoate de 2,2':6',2''-terpyridin-4'-ylméthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-bis[(3,5-dimethoxybenzoyl)amino]-4-methyl-, [2,2':6',2''-terpyridin]-4'-ylmethyl ester [ACD/Index 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: 809.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 443.3±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 206.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21137.39
ACD/KOC (pH 5.5): 42570.00
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22597.21
ACD/KOC (pH 7.4): 45510.05
Polar Surface Area: 160 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 568.3±3.0 cm3

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