ChemSpider 2D Image | 3,11,19-Tribenzyl-7,15,23-trichloro-3,11,19-triazatetracyclo[19.3.1.1~5,9~.1~13,17~]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-25,26,27-triol | C45H42Cl3N3O3

3,11,19-Tribenzyl-7,15,23-trichloro-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-25,26,27-triol

  • Molecular FormulaC45H42Cl3N3O3
  • Average mass779.192 Da
  • Monoisotopic mass777.229187 Da
  • ChemSpider ID21148349

More details:

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

3,11,19-Triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-25,26,27-triol, 7,15,23-trichloro-3,11,19-tris(phenylmethyl)- [ACD/Index Name]
3,11,19-Tribenzyl-7,15,23-trichlor-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaen-25,26,27-triol [German] [ACD/IUPAC Name]
3,11,19-Tribenzyl-7,15,23-trichloro-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-25,26,27-triol [ACD/IUPAC Name]
3,11,19-Tribenzyl-7,15,23-trichloro-3,11,19-triazatétracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaène-25,26,27-triol [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: 833.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 458.0±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 220.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.32
ACD/LogD (pH 5.5): 8.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 605069.19
ACD/LogD (pH 7.4): 9.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3186588.25
Polar Surface Area: 70 Å2
Polarizability: 87.2±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 594.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement