ChemSpider 2D Image | 2,7-Bis[4-(4-methyl-1-piperazinyl)butyl]-4,9-bis{[4-(4-methyl-1-piperazinyl)butyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone | C50H80N12O4

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

  • Molecular FormulaC50H80N12O4
  • Average mass913.248 Da
  • Monoisotopic mass912.642578 Da
  • ChemSpider ID26362640

More details:

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

2,7-Bis[4-(4-methyl-1-piperazinyl)butyl]-4,9-bis{[4-(4-methyl-1-piperazinyl)butyl]amino}benzo[lmn][3,8]phenanthrolin-1,3,6,8(2H,7H)-tetron [German] [ACD/IUPAC Name]
2,7-Bis[4-(4-methyl-1-piperazinyl)butyl]-4,9-bis{[4-(4-methyl-1-piperazinyl)butyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone [ACD/IUPAC Name]
2,7-Bis[4-(4-méthyl-1-pipérazinyl)butyl]-4,9-bis{[4-(4-méthyl-1-pipérazinyl)butyl]amino}benzo[lmn][3,8]phénanthroline-1,3,6,8(2H,7H)-tétrone [French] [ACD/IUPAC Name]
2,7-Bis[4-(4-Methylpiperazin-1-Yl)butyl]-4,9-Bis{[4-(4-Methylpiperazin-1-Yl)butyl]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[4-(4-methyl-1-piperazinyl)butyl]-4,9-bis[[4-(4-methyl-1-piperazinyl)butyl]amino]- [ACD/Index Name]
T5E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 959.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.9±3.0 kJ/mol
Flash Point: 534.3±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 264.3±0.3 cm3
#H bond acceptors: 16
#H bond donors: 2
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: -2.54
ACD/LogD (pH 5.5): -6.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 104.8±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 767.3±3.0 cm3

Click to predict properties on the Chemicalize site


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