2,5,8-tris(2,4-dinitrophenyl)-5,8-dihydro-2H-benzo[1,2-d:3,4-d':5,6-d'']tris[1,2,3]triazole
Chemical Structure Depiction of
2,5,8-tris(2,4-dinitrophenyl)-5,8-dihydro-2H-benzo[1,2-d:3,4-d':5,6-d'']tris[1,2,3]triazole
2,5,8-tris(2,4-dinitrophenyl)-5,8-dihydro-2H-benzo[1,2-d:3,4-d':5,6-d'']tris[1,2,3]triazole
Compound characteristics
| Compound ID: | 8001-1282 |
| Compound Name: | 2,5,8-tris(2,4-dinitrophenyl)-5,8-dihydro-2H-benzo[1,2-d:3,4-d':5,6-d'']tris[1,2,3]triazole |
| Molecular Weight: | 699.43 |
| Molecular Formula: | C24 H9 N15 O12 |
| Smiles: | c1cc(c(cc1[N+]([O-])=O)[N+]([O-])=O)n1nc2c(c3c(c4c2nn(c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)n4)nn(c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)n3)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1631 |
| logD: | 3.1631 |
| logSw: | -3.4189 |
| Hydrogen bond acceptors count: | 30 |
| Polar surface area: | 275.447 |
| InChI Key: | JBXGXBDYHKJOTI-UHFFFAOYSA-N |