Base information
| Cat. No. | |
| CAS No. | 1886081-85-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C48H30N20 |
| Molecular Weight | 886.886 |
| Exact Mass | 886.296 |
| XLogP3 | 3.5866 |
| Mr | 256.156 |
| PSA | 274.14 |
| Sequence | - |
| Atom number | 98 |
| Bond number | 110 |
| Ring number | 13 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | c1cc(cc(c1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1cccc(c1)c1n[nH]nn1)/C=C3)\c1cccc(c1)c1n[nH]nn1)/[nH]2)/c1cccc(c1)c1n[nH]nn1)c1n[nH]nn1 |
