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

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Formula C46H72N12O4
IUPAC Name 6,13-bis[3-(4-methylpiperazin-1-yl)propyl]-2,9-bis[3-(4-methylpiperazin-1-yl)propylamino]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
Molecular Mass 857.142 g·mol−1
Heat of Formation -479.5 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 1060.54 Å 3
Surface Area 899.21 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy -1.84 ± eV
Point Group Symmetry C1
InChIKey KISMKSDSZPCOMD-UHFFFAOYSA-N
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