Base information
| Cat. No. | |
| CAS No. | 1152418-56-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C51H48IrN3 |
| Molecular Weight | 895.164 |
| Exact Mass | 895.348 |
| XLogP3 | 7.3998 |
| Mr | 237.65 |
| PSA | 71.55 |
| Sequence | - |
| Atom number | 103 |
| Bond number | 114 |
| Ring number | 12 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | CC1=CC(=[CH-]2C(=C1)C1=CC=c3c(=N1[Ir+3]142([CH-]2=C(C)C=C(C=C2C2=CC=c5c(=N42)cccc5)C)[CH-]2=C(C)C=C(C=C2C2=CC=c4c(=N12)cccc4)C)cccc3)C |
