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Search term: CN1CCN(CCCNc2cc3c4c(c(NCCCN5CCN(C)CC5)cc5c4c2c(=O)n(CCCN2CCOCC2)c5=O)c(=O)n(CCCN2CCOCC2)c3=O)CC1 (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 4,9-Bis{[3-(4-methyl-1-piperazinyl)propyl]amino}-2,7-bis[3-(4-morpholinyl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone | C44H66N10O6

4,9-Bis{[3-(4-methyl-1-piperazinyl)propyl]amino}-2,7-bis[3-(4-morpholinyl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone

  • Molecular FormulaC44H66N10O6
  • Average mass831.058 Da
  • Monoisotopic mass830.516663 Da
  • ChemSpider ID29419820

More details:






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

4,9-Bis{[3-(4-methyl-1-piperazinyl)propyl]amino}-2,7-bis[3-(4-morpholinyl)propyl]benzo[lmn][3,8]phenanthrolin-1,3,6,8(2H,7H)-tetron [German] [ACD/IUPAC Name]
4,9-Bis{[3-(4-methyl-1-piperazinyl)propyl]amino}-2,7-bis[3-(4-morpholinyl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone [ACD/IUPAC Name]
4,9-Bis{[3-(4-méthyl-1-pipérazinyl)propyl]amino}-2,7-bis[3-(4-morpholinyl)propyl]benzo[lmn][3,8]phénanthroline-1,3,6,8(2H,7H)-tétrone [French] [ACD/IUPAC Name]
Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, 4,9-bis[[3-(4-methyl-1-piperazinyl)propyl]amino]-2,7-bis[3-(4-morpholinyl)propyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 945.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.7±3.0 kJ/mol
Flash Point: 525.5±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 232.4±0.3 cm3
#H bond acceptors: 16
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: -3.36
ACD/LogD (pH 5.5): -6.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 92.1±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 661.3±3.0 cm3

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