potassium;4-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium

C52H58BClK3N2O6P — CID 158086685

IUPACpotassium;4-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium
SMILESCC1(C)OB(c2ccc(CC3CCCC3)cc2)OC1(C)C.Clc1ccnc(-c2ccccc2)c1.O=[P+]([O-])O[O-].[K+].[K][K].c1ccc(-c2cc(-c3ccc(CC4CCCC4)cc3)ccn2)cc1
InChIInChI=1S/C23H23N.C18H27BO2.C11H8ClN.3K.HO4P/c1-2-8-21(9-3-1)23-17-22(14-15-24-23)20-12-10-19(11-13-20)16-18-6-4-5-7-18;1-17(2)18(3,4)21-19(20-17)16-11-9-15(10-12-16)13-14-7-5-6-8-14;12-10-6-7-13-11(8-10)9-4-2-1-3-5-9;;;;1-4-5(2)3/h1-3,8-15,17-18H,4-7,16H2;9-12,14H,5-8,13H2,1-4H3;1-8H;;;;1H/q;;;;;+1;/p-1
InChIKeyFNPDSEANSFJVGT-UHFFFAOYSA-M
MW1001.58 g/mol
LogP7.81
Rot. Bonds9

About potassium;4-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium

potassium;4-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium (PubChem CID 158086685) has the molecular formula C52H58BClK3N2O6P and a molecular weight of 1001.58 g/mol. Its IUPAC name is potassium;4-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium.

Molecular Properties

Compound Namepotassium;4-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium
PubChem CID158086685
Molecular FormulaC52H58BClK3N2O6P
Molecular Weight1001.58 g/mol
Exact Mass1000.27
IUPAC Namepotassium;4-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium
SMILESCC1(C)OB(c2ccc(CC3CCCC3)cc2)OC1(C)C.Clc1ccnc(-c2ccccc2)c1.O=[P+]([O-])O[O-].[K+].[K][K].c1ccc(-c2cc(-c3ccc(CC4CCCC4)cc3)ccn2)cc1
InChIInChI=1S/C23H23N.C18H27BO2.C11H8ClN.3K.HO4P/c1-2-8-21(9-3-1)23-17-22(14-15-24-23)20-12-10-19(11-13-20)16-18-6-4-5-7-18;1-17(2)18(3,4)21-19(20-17)16-11-9-15(10-12-16)13-14-7-5-6-8-14;12-10-6-7-13-11(8-10)9-4-2-1-3-5-9;;;;1-4-5(2)3/h1-3,8-15,17-18H,4-7,16H2;9-12,14H,5-8,13H2,1-4H3;1-8H;;;;1H/q;;;;;+1;/p-1
InChIKeyFNPDSEANSFJVGT-UHFFFAOYSA-M
XLogP7.81
TPSA116.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.58
LogP ≤ 57.81
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-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium with MolForge

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Related Compounds

2-[4-[4-(4-Pyridin-2-ylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 90266964
2-[4-[4-(4-Pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 90266999
2-chloro-4-phenylpyridine;(E)-5-(4-phenyl-2-pyridinyl)hept-4-en-3-one;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one
CID 144041526
4-Tert-butyl-2-chloropyridine;4-tert-butyl-2-(4-cyclohexylnaphthalen-2-yl)pyridine;2-(4-cyclohexylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;dichloropalladium;bis(triphenylphosphane)
CID 157370501
Potassium;2-[3-chloro-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine;oxido-oxidooxy-oxophosphanium;phenylboronic acid;2-[3-phenyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine;potassiopotassium
CID 157705155
CID 157759590
CID 157759590
2-Chloro-4-(1-deuteriocyclohexyl)-5-methylpyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-triphenylen-2-ylpyridine;4,4,5,5-tetramethyl-2-triphenylen-2-yl-1,3,2-dioxaborolane
CID 157810022
Dipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium
CID 158144901
3-(4-Chlorophenyl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158352796
1-Benzyl-4-chloro-2-methylbenzene;2-(4-benzyl-3-methylphenyl)pyridine;2-(4-benzyl-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tetrakis(carbon dioxide);2-(3-methylphenyl)pyridine
CID 158498338
4-Chloro-2-phenylpyridine;2-phenyl-4-prop-1-en-2-ylpyridine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
CID 159067552
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

Frequently Asked Questions

What is the IUPAC name of potassium;4-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The IUPAC name of potassium;4-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium (CID 158086685) is potassium;4-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium.
What is the SMILES notation for potassium;4-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The canonical SMILES for potassium;4-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium is CC1(C)OB(c2ccc(CC3CCCC3)cc2)OC1(C)C.Clc1ccnc(-c2ccccc2)c1.O=[P+]([O-])O[O-].[K+].[K][K].c1ccc(-c2cc(-c3ccc(CC4CCCC4)cc3)ccn2)cc1.
What is the InChIKey of potassium;4-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium?
The InChIKey is FNPDSEANSFJVGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H23N.C18H27BO2.C11H8ClN.3K.HO4P/c1-2-8-21(9-3-1)23-17-22(14-15-24-23)20-12-10-19(11-13-20)16-18-6-4-5-7-18;1-17(2)18(3,4)21-19(20-17)16-11-9-15(10-12-16)13-14-7-5-6-8-14;12-10-6-7-13-11(8-10)9-4-2-1-3-5-9;;;;1-4-5(2)3/h1-3,8-15,17-18H,4-7,16H2;9-12,14H,5-8,13H2,1-4H3;1-8H;;;;1H/q;;;;;+1;/p-1.
What are the key properties of potassium;4-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium?
potassium;4-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium has a molecular weight of 1001.58 g/mol, XLogP of 7.81, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-chloro-2-phenylpyridine;4-[4-(cyclopentylmethyl)phenyl]-2-phenylpyridine;2-[4-(cyclopentylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxido-oxidooxy-oxophosphanium;potassiopotassium is sourced from PubChem (CID 158086685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).