C116H101FK3N12O4P — CID 159309147
potassium;10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethyl-9H-acridine;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium (PubChem CID 159309147) has the molecular formula C116H101FK3N12O4P and a molecular weight of 1894.43 g/mol. Its IUPAC name is potassium;10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethyl-9H-acridine;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium.
| Compound Name | potassium;10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethyl-9H-acridine;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium |
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| PubChem CID | 159309147 |
| Molecular Formula | C116H101FK3N12O4P |
| Molecular Weight | 1894.43 g/mol |
| Exact Mass | 1892.67 |
| IUPAC Name | potassium;10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethyl-9H-acridine;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium |
| SMILES | Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1N2.Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1N2c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.O=[P+]([O-])O[O-].[K+].[K][K] |
| InChI | InChI=1S/C58H50N6.C37H24FN5.C21H27N.3K.HO4P/c1-34-36(3)40(7)53-47(38(34)5)32-48-39(6)35(2)37(4)41(8)54(48)64(53)52-30-29-46(58-62-56(44-25-17-11-18-26-44)61-57(63-58)45-27-19-12-20-28-45)31-49(52)51-33-50(42-21-13-9-14-22-42)59-55(60-51)43-23-15-10-16-24-43;38-31-22-21-29(37-42-35(27-17-9-3-10-18-27)41-36(43-37)28-19-11-4-12-20-28)23-30(31)33-24-32(25-13-5-1-6-14-25)39-34(40-33)26-15-7-2-8-16-26;1-10-12(3)16(7)20-18(14(10)5)9-19-15(6)11(2)13(4)17(8)21(19)22-20;;;;1-4-5(2)3/h9-31,33H,32H2,1-8H3;1-24H;22H,9H2,1-8H3;;;;1H/q;;;;;+1;/p-1 |
| InChIKey | LCHROHNQKKUDTJ-UHFFFAOYSA-M |
| XLogP | 23.65 |
| TPSA | 216.59 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 137 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1894.43 |
| LogP ≤ 5 | 23.65 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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