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
Properties
| Property | Value |
|---|---|
| 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 |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |