6-(2,6-Dimethylphenyl)-2-{[4-(4-Methyl-1-Piperazinyl)Phenyl]Amino}Pyrimido[5',4':5,6]Pyrimido[1,2-A]Benzimidazol-5(6H)-One

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Properties Simple | Detailed

Formula C31H30N8O
IUPAC Name 9-(2,6-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)anilino]-1,3,5,9,11-pentazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,10,12,14,16-heptaen-8-one
Molecular Mass 530.623 g·mol−1
Heat of Formation 474.1 ± 16.7 kJ·mol−1
Dipole Moment 7.07 ± 1.08 D
Volume 623.14 Å 3
Surface Area 527.16 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
InChIKey BHJJWVDKNXABFS-UHFFFAOYSA-N
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