Base information
| Cat. No. | |
| CAS No. | 1003562-42-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C111H81IrN9O12 |
| Molecular Weight | 1925.1 |
| Exact Mass | 1924.56 |
| XLogP3 | 18.8445 |
| Mr | 507.674 |
| PSA | 315.3 |
| Sequence | - |
| Atom number | 214 |
| Bond number | 225 |
| Ring number | 21 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | c1ccc(cc1)c1ccccn1.c1ccc(cc1)c1ccccn1.c1ccc(cc1)c1ccccn1.c1ccc(cc1)c1ccccn1.c1ccc(cc1)c1ccccn1.c1ccc(cc1)c1ccccn1.[O-]C(=O)[C]1(=O)Oc2ccccc2C=C1c1ccccn1.[O-]C(=O)[C]1(=O)Oc2ccccc2C=C1c1ccccn1.[O-]C(=O)[C]1(=O)Oc2ccccc2C=C1c1ccccn1.[Ir+3] |
