ChemSpider 2D Image | (19E)-8,14-Dibenzyl-5,17-dichloro-2,4,6,8,14,16,18,20,26,28-decaazapentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),2,4,6,9(27),10,12,15(26),17,19,21,23-dodecaene | C32H24Cl2N10

(19E)-8,14-Dibenzyl-5,17-dichloro-2,4,6,8,14,16,18,20,26,28-decaazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),2,4,6,9(27),10,12,15(26),17,19,21,23-dodecaene

  • Molecular FormulaC32H24Cl2N10
  • Average mass619.506 Da
  • Monoisotopic mass618.156250 Da
  • ChemSpider ID30651710

More details:

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

(19E)-8,14-Dibenzyl-5,17-dichlor-2,4,6,8,14,16,18,20,26,28-decaazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),2,4,6,9(27),10,12,15(26),17,19,21,23-dodecaen [German] [ACD/IUPAC Name]
(19E)-8,14-Dibenzyl-5,17-dichloro-2,4,6,8,14,16,18,20,26,28-decaazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),2,4,6,9(27),10,12,15(26),17,19,21,23-dodecaene [ACD/IUPAC Name]
(19E)-8,14-Dibenzyl-5,17-dichloro-2,4,6,8,14,16,18,20,26,28-décaazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),2,4,6,9(27),10,12,15(26),17,19,21,23-dodécaène [French] [ACD/IUPAC Name]
2,4,6,8,14,16,18,20,26,28-Decaazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene, 5,17-dichloro-2,20-bis(phenylmethyl)- [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: 917.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 508.8±37.1 °C
Index of Refraction: 1.681
Molar Refractivity: 168.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 43771.17
ACD/KOC (pH 5.5): 72912.43
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 44005.07
ACD/KOC (pH 7.4): 73301.97
Polar Surface Area: 108 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 446.2±3.0 cm3

Click to predict properties on the Chemicalize site


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