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

C56H62BClK3N2O6P — CID 159275831

IUPACpotassium;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
SMILESCC1(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
InChIInChI=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
InChIKeyKYHJJFKQAGCERE-UHFFFAOYSA-M
MW1053.65 g/mol
LogP8.30
Rot. Bonds9

About 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

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.

Molecular Properties

Compound Namepotassium;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 CID159275831
Molecular FormulaC56H62BClK3N2O6P
Molecular Weight1053.65 g/mol
Exact Mass1052.30
IUPAC Namepotassium;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
SMILESCC1(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
InChIInChI=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
InChIKeyKYHJJFKQAGCERE-UHFFFAOYSA-M
XLogP8.30
TPSA116.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms70
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.65
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 159275831) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.
What is the InChIKey of 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?
The InChIKey is KYHJJFKQAGCERE-UHFFFAOYSA-M. The full InChI is 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.
What are the key properties of 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?
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 has a molecular weight of 1053.65 g/mol, XLogP of 8.30, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159275831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).