ChemSpider 2D Image | 14,14'-Diethylidene-10,17'-bi(8,16-diazahexacyclo[11.5.2.1~1,8~.0~2,7~.0~12,21~.0~16,19~]henicosane)-2,2',4,4',6,6',10,10'-octaene-9,9'-dione | C42H42N4O2

14,14'-Diethylidene-10,17'-bi(8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]henicosane)-2,2',4,4',6,6',10,10'-octaene-9,9'-dione

  • Molecular FormulaC42H42N4O2
  • Average mass634.808 Da
  • Monoisotopic mass634.330750 Da
  • ChemSpider ID293811

More details:






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

14,14'-Diethyliden-10,17'-bi(8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]henicosan)-2,2',4,4',6,6',10,10'-octaen-9,9'-dion [German] [ACD/IUPAC Name]
14,14'-Diethylidene-10,17'-bi(8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]henicosane)-2,2',4,4',6,6',10,10'-octaene-9,9'-dione [ACD/IUPAC Name]
14,14'-Diéthylidène-10,17'-bi(8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]hénicosane)-2,2',4,4',6,6',10,10'-octaène-9,9'-dione [French] [ACD/IUPAC Name]
Sungucin
sungucine

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

NCI60_002820 [DBID]
NSC325308 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.768
Molar Refractivity: 184.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.79
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 166.90
ACD/KOC (pH 7.4): 810.74
Polar Surface Area: 47 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 75.4±5.0 dyne/cm
Molar Volume: 444.6±5.0 cm3

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