ChemSpider 2D Image | Tetraethyl 2,2'-[7,12-diphenyl-24-oxa-22,23,25-triazapentacyclo[16.3.1.1~3,6~.1~8,11~.1~13,16~]pentacosa-1(22),3,5,7,9,11,13,15,18,20-decaene-2,17-diylidene]dimalonate | C47H41N3O9

Tetraethyl 2,2'-[7,12-diphenyl-24-oxa-22,23,25-triazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3,5,7,9,11,13,15,18,20-decaene-2,17-diylidene]dimalonate

  • Molecular FormulaC47H41N3O9
  • Average mass791.843 Da
  • Monoisotopic mass791.284302 Da
  • ChemSpider ID21199768

  • Double-bond stereo - Double-bond stereo

More details:

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

2,2'-[7,12-Diphényl-24-oxa-22,23,25-triazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3,5,7,9,11,13,15,18,20-décaène-2,17-diylidène]dimalonate de tétraéthyle [French] [ACD/IUPAC Name]
Propanedioic acid, 2,2'-[7,12-diphenyl-24-oxa-22,23,25-triazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3,5,7,9,11,13,15,18,20-decaene-2,17-diylidene]bis-, tetraethyl ester [ACD/Index Name]
Tetraethyl 2,2'-[7,12-diphenyl-24-oxa-22,23,25-triazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3,5,7,9,11,13,15,18,20-decaene-2,17-diylidene]dimalonate [ACD/IUPAC Name]
Tetraethyl-2,2'-[7,12-diphenyl-24-oxa-22,23,25-triazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3,5,7,9,11,13,15,18,20-decaen-2,17-diyliden]dimalonat [German] [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: 931.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 517.1±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 215.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 9.70
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 159 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 577.2±5.0 cm3

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