ChemSpider 2D Image | (13Z)-11,25-Dichloro-22-isopropenyl-2,8-dioxa-10,12,14,22,24,26,27,29-octaazapentacyclo[21.3.1.1~3,7~.1~9,13~.1~16,20~]triaconta-1(27),3(30),4,6,9,11,13,16(28),17,19,23,25-dodecaene | C23H18Cl2N8O2

(13Z)-11,25-Dichloro-22-isopropenyl-2,8-dioxa-10,12,14,22,24,26,27,29-octaazapentacyclo[21.3.1.13,7.19,13.116,20]triaconta-1(27),3(30),4,6,9,11,13,16(28),17,19,23,25-dodecaene

  • Molecular FormulaC23H18Cl2N8O2
  • Average mass509.347 Da
  • Monoisotopic mass508.092987 Da
  • ChemSpider ID30659213

More details:

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

(13Z)-11,25-Dichlor-22-isopropenyl-2,8-dioxa-10,12,14,22,24,26,27,29-octaazapentacyclo[21.3.1.13,7.19,13.116,20]triaconta-1(27),3(30),4,6,9,11,13,16(28),17,19,23,25-dodecaen [German] [ACD/IUPAC Name]
(13Z)-11,25-Dichloro-22-isopropenyl-2,8-dioxa-10,12,14,22,24,26,27,29-octaazapentacyclo[21.3.1.13,7.19,13.116,20]triaconta-1(27),3(30),4,6,9,11,13,16(28),17,19,23,25-dodecaene [ACD/IUPAC Name]
(13Z)-11,25-Dichloro-22-isopropényl-2,8-dioxa-10,12,14,22,24,26,27,29-octaazapentacyclo[21.3.1.13,7.19,13.116,20]triaconta-1(27),3(30),4,6,9,11,13,16(28),17,19,23,25-dodécaène [French] [ACD/IUPAC Name]
2,8-Dioxa-10,12,14,22,24,26,27,29-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-14-(1-methylethenyl)- [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: 763.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.3±35.7 °C
Index of Refraction: 1.626
Molar Refractivity: 129.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 571.20
ACD/KOC (pH 5.5): 3272.47
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 571.35
ACD/KOC (pH 7.4): 3273.37
Polar Surface Area: 111 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 365.6±3.0 cm3

Click to predict properties on the Chemicalize site


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