ChemSpider 2D Image | 5,19-Dichloro-2,8,16,22-tetraoxa-4,6,18,20,32,36-hexaazaheptacyclo[21.5.3.3~9,15~.1~3,7~.1~17,21~.0~12,34~.0~26,30~]hexatriaconta-1(29),3(36),4,6,9,11,13,15(33),17(32),18,20,23,25,27,30,34-hexadecaene | C26H12Cl2N6O4

5,19-Dichloro-2,8,16,22-tetraoxa-4,6,18,20,32,36-hexaazaheptacyclo[21.5.3.39,15.13,7.117,21.012,34.026,30]hexatriaconta-1(29),3(36),4,6,9,11,13,15(33),17(32),18,20,23,25,27,30,34-hexadecaene

  • Molecular FormulaC26H12Cl2N6O4
  • Average mass543.317 Da
  • Monoisotopic mass542.029724 Da
  • ChemSpider ID30656998

More details:

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

5,19-Dichlor-2,8,16,22-tetraoxa-4,6,18,20,32,36-hexaazaheptacyclo[21.5.3.39,15.13,7.117,21.012,34.026,30]hexatriaconta-1(29),3(36),4,6,9,11,13,15(33),17(32),18,20,23,25,27,30,34-hexadecaen [German] [ACD/IUPAC Name]
5,19-Dichloro-2,8,16,22-tetraoxa-4,6,18,20,32,36-hexaazaheptacyclo[21.5.3.39,15.13,7.117,21.012,34.026,30]hexatriaconta-1(29),3(36),4,6,9,11,13,15(33),17(32),18,20,23,25,27,30,34-hexadecaene [ACD/IUPAC Name]
5,19-Dichloro-2,8,16,22-tétraoxa-4,6,18,20,32,36-hexaazaheptacyclo[21.5.3.39,15.13,7.117,21.012,34.026,30]hexatriaconta-1(29),3(36),4,6,9,11,13,15(33),17(32),18,20,23,25,27,30,34-hexadécaène [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 905.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.2±3.0 kJ/mol
Flash Point: 501.3±37.1 °C
Index of Refraction: 1.730
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2736.05
ACD/KOC (pH 5.5): 10043.58
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2736.05
ACD/KOC (pH 7.4): 10043.60
Polar Surface Area: 114 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 78.8±3.0 dyne/cm
Molar Volume: 347.8±3.0 cm3

Click to predict properties on the Chemicalize site


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