C240H210F6Ir8N8O14-8 — CID 158307132
3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;hexakis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxy-3-methylpent-3-en-2-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium) (PubChem CID 158307132) has the molecular formula C240H210F6Ir8N8O14-8 and a molecular weight of 5082.09 g/mol. Its IUPAC name is 3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;hexakis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxy-3-methylpent-3-en-2-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium).
| Compound Name | 3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;hexakis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxy-3-methylpent-3-en-2-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium) |
|---|---|
| PubChem CID | 158307132 |
| Molecular Formula | C240H210F6Ir8N8O14-8 |
| Molecular Weight | 5082.09 g/mol |
| Exact Mass | 5085.29 |
| IUPAC Name | 3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;hexakis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxy-3-methylpent-3-en-2-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium) |
| SMILES | CC(=O)C(C)=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC1(C)c2ccccc2-c2c[c-]c(-c3cc4ccccc4cn3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccccn3)cc21.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/7C24H18N.C20H16N.C15H12O2.C11H20O2.C6H10O2.C5H2F6O2.3C5H8O2.8Ir/c6*1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;1-24(2)21-10-6-5-9-19(21)20-12-11-17(13-22(20)24)23-14-16-7-3-4-8-18(16)15-25-23;1-20(2)17-8-4-3-7-15(17)16-11-10-14(13-18(16)20)19-9-5-6-12-21-19;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-10(2,3)8(12)7-9(13)11(4,5)6;1-4(5(2)7)6(3)8;6-4(7,8)2(12)1-3(13)5(9,10)11;3*1-4(6)3-5(2)7;;;;;;;;/h7*3-10,12-15H,1-2H3;3-9,11-13H,1-2H3;1-11,16H;7,12H,1-6H3;7H,1-3H3;1,12H;3*3,6H,1-2H3;;;;;;;;/q8*-1;;;;;;;;;;;;;;; |
| InChIKey | OAUIQGSRABHCNN-UHFFFAOYSA-N |
| XLogP | 60.11 |
| TPSA | 364.22 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 276 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5082.09 |
| LogP ≤ 5 | 60.11 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 22 |