ChemSpider 2D Image | 7,35,45-Tribenzyl-3,11,31-trichloro-15,27,38-trioxa-7,18,21,24,35,41,45-heptaazahexacyclo[19.15.7.3~13,29~.0~5,37~.0~9,14~.0~28,33~]hexatetraconta-1(37),2,4,9,11,13,28,30,32-nonaene-17,25,40-trione | C57H60Cl3N7O6

7,35,45-Tribenzyl-3,11,31-trichloro-15,27,38-trioxa-7,18,21,24,35,41,45-heptaazahexacyclo[19.15.7.313,29.05,37.09,14.028,33]hexatetraconta-1(37),2,4,9,11,13,28,30,32-nonaene-17,25,40-trione

  • Molecular FormulaC57H60Cl3N7O6
  • Average mass1045.489 Da
  • Monoisotopic mass1043.367065 Da
  • ChemSpider ID21156835

More details:

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

7,35,45-Tribenzyl-3,11,31-trichlor-15,27,38-trioxa-7,18,21,24,35,41,45-heptaazahexacyclo[19.15.7.313,29.05,37.09,14.028,33]hexatetraconta-1(37),2,4,9,11,13,28,30,32-nonaen-17,25,40-trion [German] [ACD/IUPAC Name]
7,35,45-Tribenzyl-3,11,31-trichloro-15,27,38-trioxa-7,18,21,24,35,41,45-heptaazahexacyclo[19.15.7.313,29.05,37.09,14.028,33]hexatetraconta-1(37),2,4,9,11,13,28,30,32-nonaene-17,25,40-trione [ACD/IUPAC Name]
7,35,45-Tribenzyl-3,11,31-trichloro-15,27,38-trioxa-7,18,21,24,35,41,45-heptaazahexacyclo[19.15.7.313,29.05,37.09,14.028,33]hexatétraconta-1(37),2,4,9,11,13,28,30,32-nonaène-17,25,40-trione [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: 1.653
Molar Refractivity: 287.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 707.59
ACD/KOC (pH 5.5): 1212.23
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 16152.21
ACD/KOC (pH 7.4): 27671.60
Polar Surface Area: 138 Å2
Polarizability: 114.1±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 786.2±7.0 cm3

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