C56H62BClK3N2O6P — CID 159275831
potassium;4-[4-(2-bicyclo[2.2.1]heptanylmethyl)phenyl]-2-phenylpyridine;2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane;oxido-oxidooxy-oxophosphanium;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;potassiopotassium (PubChem CID 159275831) has the molecular formula C56H62BClK3N2O6P and a molecular weight of 1053.65 g/mol. Its IUPAC name is potassium;4-[4-(2-bicyclo[2.2.1]heptanylmethyl)phenyl]-2-phenylpyridine;2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane;oxido-oxidooxy-oxophosphanium;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;potassiopotassium.
| Compound Name | potassium;4-[4-(2-bicyclo[2.2.1]heptanylmethyl)phenyl]-2-phenylpyridine;2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane;oxido-oxidooxy-oxophosphanium;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;potassiopotassium |
|---|---|
| PubChem CID | 159275831 |
| Molecular Formula | C56H62BClK3N2O6P |
| Molecular Weight | 1053.65 g/mol |
| Exact Mass | 1052.30 |
| IUPAC Name | potassium;4-[4-(2-bicyclo[2.2.1]heptanylmethyl)phenyl]-2-phenylpyridine;2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane;oxido-oxidooxy-oxophosphanium;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;potassiopotassium |
| SMILES | CC1(C)OB(c2ccnc(-c3ccccc3)c2)OC1(C)C.Clc1ccc(CC2CC3CCC2C3)cc1.O=[P+]([O-])O[O-].[K+].[K][K].c1ccc(-c2cc(-c3ccc(CC4CC5CCC4C5)cc3)ccn2)cc1 |
| InChI | InChI=1S/C25H25N.C17H20BNO2.C14H17Cl.3K.HO4P/c1-2-4-21(5-3-1)25-17-23(12-13-26-25)20-9-6-18(7-10-20)14-24-16-19-8-11-22(24)15-19;1-16(2)17(3,4)21-18(20-16)14-10-11-19-15(12-14)13-8-6-5-7-9-13;15-14-5-2-10(3-6-14)7-13-9-11-1-4-12(13)8-11;;;;1-4-5(2)3/h1-7,9-10,12-13,17,19,22,24H,8,11,14-16H2;5-12H,1-4H3;2-3,5-6,11-13H,1,4,7-9H2;;;;1H/q;;;;;+1;/p-1 |
| InChIKey | KYHJJFKQAGCERE-UHFFFAOYSA-M |
| XLogP | 8.30 |
| TPSA | 116.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 70 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1053.65 |
| LogP ≤ 5 | 8.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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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