ChemSpider 2D Image | 2,8,14,22-Tetrabenzyl-11,25-dichloro-2,8,10,12,14,22,24,26,27,29-decaazapentacyclo[21.3.1.1~3,7~.1~9,13~.1~16,20~]triaconta-1(27),3(30),4,6,9(29),10,12,16(28),17,19,23,25-dodecaene | C48H40Cl2N10

2,8,14,22-Tetrabenzyl-11,25-dichloro-2,8,10,12,14,22,24,26,27,29-decaazapentacyclo[21.3.1.13,7.19,13.116,20]triaconta-1(27),3(30),4,6,9(29),10,12,16(28),17,19,23,25-dodecaene

  • Molecular FormulaC48H40Cl2N10
  • Average mass827.804 Da
  • Monoisotopic mass826.281433 Da
  • ChemSpider ID30659212

More details:

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

2,8,10,12,14,22,24,26,27,29-Decaazapentacyclo[21.3.1.13,7.19,13.116,20]triaconta-1(27),3,5,7(30),9,11,13(29),16,18,20(28),23,25-dodecaene, 11,25-dichloro-2,8,14,22-tetrakis(phenylmethyl)- [ACD/Index Name]
2,8,14,22-Tetrabenzyl-11,25-dichlor-2,8,10,12,14,22,24,26,27,29-decaazapentacyclo[21.3.1.13,7.19,13.116,20]triaconta-1(27),3(30),4,6,9(29),10,12,16(28),17,19,23,25-dodecaen [German] [ACD/IUPAC Name]
2,8,14,22-Tetrabenzyl-11,25-dichloro-2,8,10,12,14,22,24,26,27,29-decaazapentacyclo[21.3.1.13,7.19,13.116,20]triaconta-1(27),3(30),4,6,9(29),10,12,16(28),17,19,23,25-dodecaene [ACD/IUPAC Name]
2,8,14,22-Tétrabenzyl-11,25-dichloro-2,8,10,12,14,22,24,26,27,29-décaazapentacyclo[21.3.1.13,7.19,13.116,20]triaconta-1(27),3(30),4,6,9(29),10,12,16(28),17,19,23,25-dodécaène [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: 1.678
Molar Refractivity: 236.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 8.23
ACD/LogD (pH 5.5): 8.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1202462.25
ACD/LogD (pH 7.4): 8.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1203870.50
Polar Surface Area: 90 Å2
Polarizability: 93.9±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 628.3±3.0 cm3

Click to predict properties on the Chemicalize site


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