C118H103FK3N10O4P — CID 160637917
potassium;10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethyl-9H-acridine;2-[5-(2,6-diphenylpyrimidin-4-yl)-2-fluorophenyl]-4,6-diphenylpyrimidine;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium (PubChem CID 160637917) has the molecular formula C118H103FK3N10O4P and a molecular weight of 1892.45 g/mol. Its IUPAC name is potassium;10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethyl-9H-acridine;2-[5-(2,6-diphenylpyrimidin-4-yl)-2-fluorophenyl]-4,6-diphenylpyrimidine;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium.
| Compound Name | potassium;10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethyl-9H-acridine;2-[5-(2,6-diphenylpyrimidin-4-yl)-2-fluorophenyl]-4,6-diphenylpyrimidine;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium |
|---|---|
| PubChem CID | 160637917 |
| Molecular Formula | C118H103FK3N10O4P |
| Molecular Weight | 1892.45 g/mol |
| Exact Mass | 1890.68 |
| IUPAC Name | potassium;10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethyl-9H-acridine;2-[5-(2,6-diphenylpyrimidin-4-yl)-2-fluorophenyl]-4,6-diphenylpyrimidine;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(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.Fc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.O=[P+]([O-])O[O-].[K+].[K][K] |
| InChI | InChI=1S/C59H51N5.C38H25FN4.C21H27N.3K.HO4P/c1-35-37(3)41(7)56-48(39(35)5)32-49-40(6)36(2)38(4)42(8)57(49)64(56)55-30-29-47(54-34-51(43-21-13-9-14-22-43)60-58(61-54)46-27-19-12-20-28-46)31-50(55)59-62-52(44-23-15-10-16-24-44)33-53(63-59)45-25-17-11-18-26-45;39-32-22-21-30(36-25-33(26-13-5-1-6-14-26)40-37(41-36)29-19-11-4-12-20-29)23-31(32)38-42-34(27-15-7-2-8-16-27)24-35(43-38)28-17-9-3-10-18-28;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/h9-31,33-34H,32H2,1-8H3;1-25H;22H,9H2,1-8H3;;;;1H/q;;;;;+1;/p-1 |
| InChIKey | RITZVJGMLJNKGI-UHFFFAOYSA-M |
| XLogP | 24.86 |
| TPSA | 190.81 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 137 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1892.45 |
| LogP ≤ 5 | 24.86 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 14 |
| 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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