Base information
| Cat. No. | |
| CAS No. | 83607-84-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C64H58N8Ni |
| Molecular Weight | 997.892 |
| Exact Mass | 996.414 |
| XLogP3 | 9.7194 |
| Mr | 331.549 |
| PSA | 121.86 |
| Sequence | - |
| Atom number | 131 |
| Bond number | 146 |
| Ring number | 16 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CC(c1ccc2c(c1)cc1c(c2)C2=NC3=N4[Ni+2]56[N-]2C1=NC1=N5C(=NC2=c5c(=C([N-]62)N=C4c2c3cc3cc(ccc3c2)C(C)(C)C)cc2c(c5)ccc(c2)C(C)(C)C)c2c1cc1ccc(cc1c2)C(C)(C)C)(C)C |
