| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C38H24N4.Fe/c1-4-10-25(11-5-1)36-30-18-16-28(39-30)24-29-17-19-31(40-29)37(26-12-6-2-7-13-26)33-21-23-35(42-33)38(27-14-8-3-9-15-27)34-22-20-32(36)41-34;/h1-24H;/q-2;+2/b28-24-,29-24-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-; |
| InChIKey | InChI | 1.03 | RLGQLJRFCYPMST-ZBSPJBKZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Fe]1n2c3ccc2C(=C4C=CC(=N4)C(=C5C=CC(=C(c6ccccc6)C7=NC(=C3)C=C7)[N@]15)c8ccccc8)c9ccccc9 |
| SMILES | CACTVS | 3.385 | [Fe]1n2c3ccc2C(=C4C=CC(=N4)C(=C5C=CC(=C(c6ccccc6)C7=NC(=C3)C=C7)[N]15)c8ccccc8)c9ccccc9 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1 |
