Base information
| Cat. No. | |
| CAS No. | 1617506-77-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C53H47IrN2O2 |
| Molecular Weight | 936.169 |
| Exact Mass | 936.327 |
| XLogP3 | 7.4701 |
| Mr | 245.075 |
| PSA | 81.84 |
| Sequence | - |
| Atom number | 105 |
| Bond number | 117 |
| Ring number | 13 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | CC1=[O][Ir+3]23([O]=C([CH-]1)C)([CH-]1=CC4=C(C=C1C1=c5c(=CC=N31)cccc5)C(c1c4cccc1)(C)C)[CH-]1=CC3=C(C=C1C1=c4c(=CC=N21)cccc4)C(c1c3cccc1)(C)C |
