C292H204N56ORu7 — CID 162177189
[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;methane;2-(3-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);11-methylquinoxalino[2,3-f][1,10]phenanthroline;octakis(1,10-phenanthroline);hexakis(2-pyridin-2-ylpyridine);bis(quinoxalino[2,3-f][1,10]phenanthroline);ruthenium (PubChem CID 162177189) has the molecular formula C292H204N56ORu7 and a molecular weight of 5220.73 g/mol. Its IUPAC name is [2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;methane;2-(3-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);11-methylquinoxalino[2,3-f][1,10]phenanthroline;octakis(1,10-phenanthroline);hexakis(2-pyridin-2-ylpyridine);bis(quinoxalino[2,3-f][1,10]phenanthroline);ruthenium.
| Compound Name | [2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;methane;2-(3-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);11-methylquinoxalino[2,3-f][1,10]phenanthroline;octakis(1,10-phenanthroline);hexakis(2-pyridin-2-ylpyridine);bis(quinoxalino[2,3-f][1,10]phenanthroline);ruthenium |
|---|---|
| PubChem CID | 162177189 |
| Molecular Formula | C292H204N56ORu7 |
| Molecular Weight | 5220.73 g/mol |
| Exact Mass | 5223.09 |
| IUPAC Name | [2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;methane;2-(3-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline;bis(2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline);11-methylquinoxalino[2,3-f][1,10]phenanthroline;octakis(1,10-phenanthroline);hexakis(2-pyridin-2-ylpyridine);bis(quinoxalino[2,3-f][1,10]phenanthroline);ruthenium |
| SMILES | C.Cc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.Cc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.OCc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[Ru].[Ru].[Ru].[Ru].[Ru].[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
| InChI | InChI=1S/C20H14N4O.3C20H14N4.C19H12N4.2C18H10N4.8C12H8N2.6C10H8N2.CH4.7Ru/c25-11-12-5-1-2-6-13(12)20-23-18-14-7-3-9-21-16(14)17-15(19(18)24-20)8-4-10-22-17;1-12-5-2-6-13(11-12)20-23-18-14-7-3-9-21-16(14)17-15(19(18)24-20)8-4-10-22-17;2*1-12-6-8-13(9-7-12)20-23-18-14-4-2-10-21-16(14)17-15(19(18)24-20)5-3-11-22-17;1-11-6-7-14-15(10-11)23-19-13-5-3-9-21-17(13)16-12(18(19)22-14)4-2-8-20-16;2*1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;8*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;/h1-10,25H,11H2,(H,23,24);3*2-11H,1H3,(H,23,24);2-10H,1H3;2*1-10H;8*1-8H;6*1-8H;1H4;;;;;;; |
| InChIKey | ZONQWHJMHUUALI-UHFFFAOYSA-N |
| XLogP | 65.41 |
| TPSA | 753.67 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 356 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5220.73 |
| LogP ≤ 5 | 65.41 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 53 |