ChemSpider 2D Image | (1E)-11,25-Dichloro-14,22-dioxa-2,8,10,12,24,26,27,29-octaazapentacyclo[21.3.1.1~3,7~.1~9,13~.1~16,20~]triaconta-1,3(30),4,6,8,10,12,16(28),17,19,23(27),25-dodecaene | C20H14Cl2N8O2

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

  • Molecular FormulaC20H14Cl2N8O2
  • Average mass469.284 Da
  • Monoisotopic mass468.061676 Da
  • ChemSpider ID30659210

More details:

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

(1E)-11,25-Dichlor-14,22-dioxa-2,8,10,12,24,26,27,29-octaazapentacyclo[21.3.1.13,7.19,13.116,20]triaconta-1,3(30),4,6,8,10,12,16(28),17,19,23(27),25-dodecaen [German] [ACD/IUPAC Name]
(1E)-11,25-Dichloro-14,22-dioxa-2,8,10,12,24,26,27,29-octaazapentacyclo[21.3.1.13,7.19,13.116,20]triaconta-1,3(30),4,6,8,10,12,16(28),17,19,23(27),25-dodecaene [ACD/IUPAC Name]
(1E)-11,25-Dichloro-14,22-dioxa-2,8,10,12,24,26,27,29-octaazapentacyclo[21.3.1.13,7.19,13.116,20]triaconta-1,3(30),4,6,8,10,12,16(28),17,19,23(27),25-dodécaène [French] [ACD/IUPAC Name]
14,22-Dioxa-2,8,10,12,24,26,27,29-octaazapentacyclo[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- [ACD/Index 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: 750.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.6±35.7 °C
Index of Refraction: 1.631
Molar Refractivity: 115.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 386.08
ACD/KOC (pH 5.5): 2472.00
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 386.38
ACD/KOC (pH 7.4): 2473.93
Polar Surface Area: 120 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 65.6±3.0 dyne/cm
Molar Volume: 325.0±3.0 cm3

Click to predict properties on the Chemicalize site


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