Base information
| Cat. No. | |
| CAS No. | 1331833-06-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C81H78IrN6O3+++ |
| Molecular Weight | 1375.74 |
| Exact Mass | 1375.58 |
| XLogP3 | 23.0565 |
| Mr | 376.314 |
| PSA | 92.88 |
| Sequence | - |
| Atom number | 169 |
| Bond number | 180 |
| Ring number | 15 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | CC(c1cc2c(c(c1n1ccnc1c1ccccc1)C(C)C)oc1c2cccc1)C.CC(c1cc2c(c(c1n1ccnc1c1ccccc1)C(C)C)oc1c2cccc1)C.CC(c1cc2c(c(c1n1ccnc1c1ccccc1)C(C)C)oc1c2cccc1)C.[Ir+3] |
