Base information
| Cat. No. | |
| CAS No. | 1469707-47-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C104H64N6 |
| Molecular Weight | 1397.66 |
| Exact Mass | 1396.52 |
| XLogP3 | 27.1544 |
| Mr | 456.716 |
| PSA | 67.3 |
| Sequence | - |
| Atom number | 174 |
| Bond number | 194 |
| Ring number | 21 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | N#Cc1c(c(n2c3ccc(cc3c3c2ccc(c3)c2ccccc2)c2ccccc2)c(c(c1C#N)n1c2ccc(cc2c2c1ccc(c2)c1ccccc1)c1ccccc1)n1c2ccc(cc2c2c1ccc(c2)c1ccccc1)c1ccccc1)n1c2ccc(cc2c2c1ccc(c2)c1ccccc1)c1ccccc1 |
