RTA
Summary
| Name: | (2,2':6',2''-TERPYRIDINE)-(2,2''-BIPYRIDINE) RUTHENIUM (II) |
| Formula: | C25 H19 N5 Ru |
| Formal charge: | null |
| Formula weight: | 490.522 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(6S)-6-[(2S)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN][(2R,2'S,2''R,6'S)-2,2':6',2''-terpiperidinato(3-)-kappa~3~N~1~,N~1'~,N~1''~]ruthenium(2+) |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N14CCCCC1C2N8C(CCC2)C3N(CCCC3)[Ru+2]478N5CCC=CC5C6N7CCCC6 |
| InChI | InChI | 1.06 | InChI=1S/C15H11N3.C10H8N2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-11H;1-8H;/q;;+2 |
| InChIKey | InChI | 1.06 | BIHMYQILMGPXSN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Ru++].c1ccc(nc1)c2ccccn2.c3ccc(nc3)c4cccc(n4)c5ccccn5 |
| SMILES | CACTVS | 3.385 | [Ru++].c1ccc(nc1)c2ccccn2.c3ccc(nc3)c4cccc(n4)c5ccccn5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1=CC=[N]2C(=C1)C3=CC=CC4=[N]3[Ru+2]25([N]6=C(C=CC=C6)C7=[N]5C=CC=C7)[N]8=C4C=CC=C8 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1=CC=[N]2C(=C1)C3=CC=CC4=[N]3[Ru+2]25([N]6=C(C=CC=C6)C7=[N]5C=CC=C7)[N]8=C4C=CC=C8 |
