C151H190F4Ir4N4O8Si2-4 — CID 158172101
4-(3,5-dimethylbenzene-6-id-1-yl)-7,8-dimethylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinolin-8-yl]-trimethylsilane;4-(3,5-dimethylbenzene-6-id-1-yl)-8-propan-2-yl-9-(trifluoromethyl)benzo[f]isoquinoline;7-ethyl-6-hydroxy-3,5-dimethylnon-5-en-4-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);7-hydroxy-2,4,8,10-tetramethylundec-6-en-5-one;tetrakis(iridium) (PubChem CID 158172101) has the molecular formula C151H190F4Ir4N4O8Si2-4 and a molecular weight of 3090.23 g/mol. Its IUPAC name is 4-(3,5-dimethylbenzene-6-id-1-yl)-7,8-dimethylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinolin-8-yl]-trimethylsilane;4-(3,5-dimethylbenzene-6-id-1-yl)-8-propan-2-yl-9-(trifluoromethyl)benzo[f]isoquinoline;7-ethyl-6-hydroxy-3,5-dimethylnon-5-en-4-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);7-hydroxy-2,4,8,10-tetramethylundec-6-en-5-one;tetrakis(iridium).
| Compound Name | 4-(3,5-dimethylbenzene-6-id-1-yl)-7,8-dimethylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinolin-8-yl]-trimethylsilane;4-(3,5-dimethylbenzene-6-id-1-yl)-8-propan-2-yl-9-(trifluoromethyl)benzo[f]isoquinoline;7-ethyl-6-hydroxy-3,5-dimethylnon-5-en-4-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);7-hydroxy-2,4,8,10-tetramethylundec-6-en-5-one;tetrakis(iridium) |
|---|---|
| PubChem CID | 158172101 |
| Molecular Formula | C151H190F4Ir4N4O8Si2-4 |
| Molecular Weight | 3090.23 g/mol |
| Exact Mass | 3091.26 |
| IUPAC Name | 4-(3,5-dimethylbenzene-6-id-1-yl)-7,8-dimethylbenzo[f]isoquinoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-fluorobenzo[f]isoquinolin-8-yl]-trimethylsilane;[4-(3,5-dimethylbenzene-6-id-1-yl)-7-methylbenzo[f]isoquinolin-8-yl]-trimethylsilane;4-(3,5-dimethylbenzene-6-id-1-yl)-8-propan-2-yl-9-(trifluoromethyl)benzo[f]isoquinoline;7-ethyl-6-hydroxy-3,5-dimethylnon-5-en-4-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);7-hydroxy-2,4,8,10-tetramethylundec-6-en-5-one;tetrakis(iridium) |
| SMILES | CC(C)CC(C)C(=O)C=C(O)C(C)CC(C)C.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)C(=O)C(C)=C(O)C(CC)CC.Cc1[c-]c(-c2nccc3c2ccc2c(C)c(C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(C)c([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2c(F)c([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3c2ccc2cc(C(C)C)c(C(F)(F)F)cc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C25H21F3N.C25H26NSi.C24H23FNSi.C23H20N.C15H28O2.3C13H24O2.4Ir/c1-14(2)21-12-17-5-6-20-19(22(17)13-23(21)25(26,27)28)7-8-29-24(20)18-10-15(3)9-16(4)11-18;1-16-13-17(2)15-19(14-16)25-23-8-7-20-18(3)24(27(4,5)6)10-9-21(20)22(23)11-12-26-25;1-15-12-16(2)14-17(13-15)24-21-7-6-20-18(19(21)10-11-26-24)8-9-22(23(20)25)27(3,4)5;1-14-11-15(2)13-18(12-14)23-22-8-7-19-17(4)16(3)5-6-20(19)21(22)9-10-24-23;1-10(2)7-12(5)14(16)9-15(17)13(6)8-11(3)4;2*1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;1-6-9(4)12(14)10(5)13(15)11(7-2)8-3;;;;/h5-10,12-14H,1-4H3;7-14H,1-6H3;6-13H,1-5H3;5-12H,1-4H3;9-13,16H,7-8H2,1-6H3;2*9,14H,7-8H2,1-6H3;9,11,15H,6-8H2,1-5H3;;;;/q4*-1;;;;;;;; |
| InChIKey | VFFQCJNCOGOHOT-UHFFFAOYSA-N |
| XLogP | 42.15 |
| TPSA | 200.76 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 173 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3090.23 |
| LogP ≤ 5 | 42.15 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|