C150H176F6Ir4N16O8-4 — CID 158008382
3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-methylpyridazino[4,3-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (PubChem CID 158008382) has the molecular formula C150H176F6Ir4N16O8-4 and a molecular weight of 3217.04 g/mol. Its IUPAC name is 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-methylpyridazino[4,3-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium).
| Compound Name | 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-methylpyridazino[4,3-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) |
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| PubChem CID | 158008382 |
| Molecular Formula | C150H176F6Ir4N16O8-4 |
| Molecular Weight | 3217.04 g/mol |
| Exact Mass | 3218.25 |
| IUPAC Name | 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-methylpyridazino[4,3-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) |
| SMILES | CC(C)(C)c1cc(-c2nnc(C(F)(F)F)c3nc4ccccc4nc23)[c-]c2ccccc12.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1c(-c2[c-]c3ccccc3c(C(C)(C)C)c2)nnc2nc3ccccc3nc12.Cc1nc2c(C)c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nnc2nc1C(F)(F)F.[2H]C([2H])([2H])c1nnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)c2nc3ccccc3nc12.[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C25H18F3N4.2C25H21N4.C23H20F3N4.4C13H24O2.4Ir/c1-24(2,3)17-13-15(12-14-8-4-5-9-16(14)17)20-21-22(23(32-31-20)25(26,27)28)30-19-11-7-6-10-18(19)29-21;1-15-22-24(27-21-12-8-7-11-20(21)26-22)23(29-28-15)17-13-16-9-5-6-10-18(16)19(14-17)25(2,3)4;1-15-22(28-29-24-23(15)26-20-11-7-8-12-21(20)27-24)17-13-16-9-5-6-10-18(16)19(14-17)25(2,3)4;1-12-18(29-30-21-19(12)27-13(2)20(28-21)23(24,25)26)15-10-14-8-6-7-9-16(14)17(11-15)22(3,4)5;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h4-11,13H,1-3H3;2*5-12,14H,1-4H3;6-9,11H,1-5H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;/i;1D3;;;;;;;;;; |
| InChIKey | AITNUSYHAJDDJY-JZXCFEAYSA-N |
| XLogP | 39.55 |
| TPSA | 355.44 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 184 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3217.04 |
| LogP ≤ 5 | 39.55 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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