Base information
| Cat. No. | |
| CAS No. | 848127-98-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C45H37IrN4O2 |
| Molecular Weight | 858.018 |
| Exact Mass | 858.255 |
| XLogP3 | 5.2607 |
| Mr | 216.589 |
| PSA | 106.56 |
| Sequence | - |
| Atom number | 89 |
| Bond number | 99 |
| Ring number | 11 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC1=[O][Ir+3]23([O]=C([CH-]1)C)([CH-]1=CC=CC=C1C1=C(N=c4c(=N31)cccc4)c1ccccc1)[CH-]1=CC=CC=C1C1=C(N=c3c(=N21)cccc3)c1ccccc1 |
