Base information
| Cat. No. | |
| CAS No. | 603109-48-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C44H40Cl2Ir2N4 |
| Molecular Weight | 1080.16 |
| Exact Mass | 1080.19 |
| XLogP3 | 10.2911 |
| Mr | 233.893 |
| PSA | 95.4 |
| Sequence | - |
| Atom number | 92 |
| Bond number | 104 |
| Ring number | 13 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C1=CC=[CH-]2C(=C1)C1=CC=CC=N1[Ir+3]132([Cl-][Ir+3]24([Cl-]1)([CH-]1=CC=CC=C1C1=CC=CC=N41)[CH-]1=CC=CC=C1C1=CC=CC=N21)[CH-]1=CC=CC=C1C1=CC=CC=N31 |
