ChemSpider 2D Image | 2,7-Bis[3-(4-methyl-1-piperazinyl)propyl]-4,9-bis{[3-(4-methyl-1-piperazinyl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone | C46H72N12O4

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

  • Molecular FormulaC46H72N12O4
  • Average mass857.142 Da
  • Monoisotopic mass856.579956 Da
  • ChemSpider ID26362950

More details:






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

2,7-Bis[3-(4-methyl-1-piperazinyl)propyl]-4,9-bis{[3-(4-methyl-1-piperazinyl)propyl]amino}benzo[lmn][3,8]phenanthrolin-1,3,6,8(2H,7H)-tetron [German] [ACD/IUPAC Name]
2,7-Bis[3-(4-methyl-1-piperazinyl)propyl]-4,9-bis{[3-(4-methyl-1-piperazinyl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone [ACD/IUPAC Name]
2,7-Bis[3-(4-méthyl-1-pipérazinyl)propyl]-4,9-bis{[3-(4-méthyl-1-pipérazinyl)propyl]amino}benzo[lmn][3,8]phénanthroline-1,3,6,8(2H,7H)-tétrone [French] [ACD/IUPAC Name]
2,7-Bis[3-(4-Methylpiperazin-1-Yl)propyl]-4,9-Bis{[3-(4-Methylpiperazin-1-Yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-Tetrone
Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, 2,7-bis[3-(4-methyl-1-piperazinyl)propyl]-4,9-bis[[3-(4-methyl-1-piperazinyl)propyl]amino]- [ACD/Index Name]
R8G

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

Density: 1.2±0.1 g/cm3
Boiling Point: 934.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.1±3.0 kJ/mol
Flash Point: 519.1±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 245.7±0.3 cm3
#H bond acceptors: 16
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: -3.91
ACD/LogD (pH 5.5): -7.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 97.4±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 701.3±3.0 cm3

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