C284H219Ir6N19 — CID 158245101
4-(9,9-dimethylfluoren-1-yl)-2-phenylpyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;4-(9,9-dimethylfluoren-3-yl)-2-phenylpyridine;hexakis(iridium(3+));hexakis(2-(3-methylbenzene-6-id-1-yl)pyridine);4-naphthalen-1-yl-2-phenylpyridine;4-naphthalen-2-yl-2-phenylpyridine;6-phenyl-2,3-dihydropyridine;pentakis(2-phenylpyridine);2,9,9-trimethyl-7-(2-phenyl-4-pyridinyl)indeno[2,1-b]pyridine (PubChem CID 158245101) has the molecular formula C284H219Ir6N19 and a molecular weight of 5051.31 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-1-yl)-2-phenylpyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;4-(9,9-dimethylfluoren-3-yl)-2-phenylpyridine;hexakis(iridium(3+));hexakis(2-(3-methylbenzene-6-id-1-yl)pyridine);4-naphthalen-1-yl-2-phenylpyridine;4-naphthalen-2-yl-2-phenylpyridine;6-phenyl-2,3-dihydropyridine;pentakis(2-phenylpyridine);2,9,9-trimethyl-7-(2-phenyl-4-pyridinyl)indeno[2,1-b]pyridine.
| Compound Name | 4-(9,9-dimethylfluoren-1-yl)-2-phenylpyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;4-(9,9-dimethylfluoren-3-yl)-2-phenylpyridine;hexakis(iridium(3+));hexakis(2-(3-methylbenzene-6-id-1-yl)pyridine);4-naphthalen-1-yl-2-phenylpyridine;4-naphthalen-2-yl-2-phenylpyridine;6-phenyl-2,3-dihydropyridine;pentakis(2-phenylpyridine);2,9,9-trimethyl-7-(2-phenyl-4-pyridinyl)indeno[2,1-b]pyridine |
|---|---|
| PubChem CID | 158245101 |
| Molecular Formula | C284H219Ir6N19 |
| Molecular Weight | 5051.31 g/mol |
| Exact Mass | 5052.55 |
| IUPAC Name | 4-(9,9-dimethylfluoren-1-yl)-2-phenylpyridine;4-(9,9-dimethylfluoren-2-yl)-2-phenylpyridine;4-(9,9-dimethylfluoren-3-yl)-2-phenylpyridine;hexakis(iridium(3+));hexakis(2-(3-methylbenzene-6-id-1-yl)pyridine);4-naphthalen-1-yl-2-phenylpyridine;4-naphthalen-2-yl-2-phenylpyridine;6-phenyl-2,3-dihydropyridine;pentakis(2-phenylpyridine);2,9,9-trimethyl-7-(2-phenyl-4-pyridinyl)indeno[2,1-b]pyridine |
| SMILES | CC1(C)c2ccccc2-c2cc(-c3ccnc(-c4[c-]cccc4)c3)ccc21.CC1(C)c2ccccc2-c2ccc(-c3ccnc(-c4[c-]cccc4)c3)cc21.CC1(C)c2ccccc2-c2cccc(-c3ccnc(-c4[c-]cccc4)c3)c21.Cc1cc[c-]c(-c2ccccn2)c1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1cc[c-]c(-c2ccccn2)c1.Cc1ccc2c(n1)C(C)(C)c1cc(-c3ccnc(-c4[c-]cccc4)c3)ccc1-2.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1cc(-c2ccc3ccccc3c2)ccn1.[c-]1ccccc1-c1cc(-c2cccc3ccccc23)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1C1=NCCC=C1 |
| InChI | InChI=1S/C26H21N2.3C26H20N.2C21H14N.6C12H10N.C11H10N.5C11H8N.6Ir/c1-17-9-11-22-21-12-10-19(15-23(21)26(2,3)25(22)28-17)20-13-14-27-24(16-20)18-7-5-4-6-8-18;1-26(2)23-14-7-6-11-21(23)22-13-8-12-20(25(22)26)19-15-16-27-24(17-19)18-9-4-3-5-10-18;1-26(2)23-11-7-6-10-21(23)22-16-19(12-13-24(22)26)20-14-15-27-25(17-20)18-8-4-3-5-9-18;1-26(2)23-11-7-6-10-21(23)22-13-12-19(16-24(22)26)20-14-15-27-25(17-20)18-8-4-3-5-9-18;1-2-8-17(9-3-1)21-15-18(13-14-22-21)20-12-6-10-16-7-4-5-11-19(16)20;1-2-7-17(8-3-1)21-15-20(12-13-22-21)19-11-10-16-6-4-5-9-18(16)14-19;6*1-10-5-4-6-11(9-10)12-7-2-3-8-13-12;6*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h4-7,9-16H,1-3H3;3-9,11-17H,1-2H3;2*3-8,10-17H,1-2H3;1-8,10-15H;1-7,9-15H;6*2-5,7-9H,1H3;1-4,6,8H,5,9H2;5*1-6,8-9H;;;;;;/q18*-1;6*+3 |
| InChIKey | GVDRRCRMOVBUGF-UHFFFAOYSA-N |
| XLogP | 68.64 |
| TPSA | 244.38 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 309 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5051.31 |
| LogP ≤ 5 | 68.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |