Base information
| Cat. No. | |
| CAS No. | 1318171-90-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C45H51IrN2O2 |
| Molecular Weight | 844.116 |
| Exact Mass | 844.358 |
| XLogP3 | 7.3543 |
| Mr | 212.797 |
| PSA | 81.84 |
| Sequence | - |
| Atom number | 101 |
| Bond number | 109 |
| Ring number | 9 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC1=CC(=[CH-]2C(=C1)C1=CC=c3c(=N1[Ir+3]142([O]=C([CH-]C(=[O]1)C(C)(C)C)C(C)(C)C)[CH-]1=C(C)C=C(C=C1C1=CC=c2c(=N41)cccc2)C)cccc3)C |
