dipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium

C45H53BClK2N2O6P — CID 158144901

IUPACdipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium
SMILESC.CC(C)(C)CB(O)O.CC(C)(C)Cc1ccc(-c2ccnc(-c3ccccc3)c2)cc1.Clc1ccc(-c2ccnc(-c3ccccc3)c2)cc1.O=[P+]([O-])O[O-].[H-].[K+].[K+]
InChIInChI=1S/C22H23N.C17H12ClN.C5H13BO2.CH4.2K.HO4P.H/c1-22(2,3)16-17-9-11-18(12-10-17)20-13-14-23-21(15-20)19-7-5-4-6-8-19;18-16-8-6-13(7-9-16)15-10-11-19-17(12-15)14-4-2-1-3-5-14;1-5(2,3)4-6(7)8;;;;1-4-5(2)3;/h4-15H,16H2,1-3H3;1-12H;7-8H,4H2,1-3H3;1H4;;;1H;/q;;;;2*+1;;-1/p-1
InChIKeyLPLRAXYOVYYFTB-UHFFFAOYSA-M
MW873.36 g/mol
LogP4.63
Rot. Bonds7

About dipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium

dipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium (PubChem CID 158144901) has the molecular formula C45H53BClK2N2O6P and a molecular weight of 873.36 g/mol. Its IUPAC name is dipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium.

Molecular Properties

Compound Namedipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium
PubChem CID158144901
Molecular FormulaC45H53BClK2N2O6P
Molecular Weight873.36 g/mol
Exact Mass872.27
IUPAC Namedipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium
SMILESC.CC(C)(C)CB(O)O.CC(C)(C)Cc1ccc(-c2ccnc(-c3ccccc3)c2)cc1.Clc1ccc(-c2ccnc(-c3ccccc3)c2)cc1.O=[P+]([O-])O[O-].[H-].[K+].[K+]
InChIInChI=1S/C22H23N.C17H12ClN.C5H13BO2.CH4.2K.HO4P.H/c1-22(2,3)16-17-9-11-18(12-10-17)20-13-14-23-21(15-20)19-7-5-4-6-8-19;18-16-8-6-13(7-9-16)15-10-11-19-17(12-15)14-4-2-1-3-5-14;1-5(2,3)4-6(7)8;;;;1-4-5(2)3;/h4-15H,16H2,1-3H3;1-12H;7-8H,4H2,1-3H3;1H4;;;1H;/q;;;;2*+1;;-1/p-1
InChIKeyLPLRAXYOVYYFTB-UHFFFAOYSA-M
XLogP4.63
TPSA138.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500873.36
LogP ≤ 54.63
H-Bond Donors ≤ 52
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 dipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium with MolForge

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Related Compounds

2-(4-Tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;(4-phenylphenyl)boronic acid
CID 157205212
2-(4-Tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;methane;(4-phenylphenyl)boronic acid
CID 164958549
6-(4-Chlorophenyl)-4-p-tolyl-2,2'-bipyridine
CID 66554083
N-[[1-[3,3-bis(4-chlorophenyl)-3-pyridin-3-ylpropyl]-4-(4-methylphenyl)piperidin-4-yl]methyl]-N-ethylethanamine
CID 20374295
4-Tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]pyridine
CID 122487705
4-Tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine
CID 134179080
2-[4-[5-Tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-methyl-5-phenyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]-4-methyl-5-phenylpyridine
CID 134179082
2-[4-[5-Tert-butyl-2-[3-[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-3-phenylphenyl]pyridine
CID 134179227
4-Tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-chlorophenyl]phenyl]-3-phenylphenyl]pyridine
CID 134225953
2-[4-[2-[3-Chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine
CID 134313289
5-[5-Tert-butyl-2-[3-[4-tert-butyl-2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]-2,4-diphenylpyridine
CID 138744098
4-Tert-butyl-2-[4-[5-tert-butyl-2-[3-[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(2-chlorophenyl)cyclohexyl]phenyl]phenyl]pyridine
CID 138744505

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium?
The IUPAC name of 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) is dipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium.
What is the SMILES notation for dipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium?
The canonical SMILES for dipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium is C.CC(C)(C)CB(O)O.CC(C)(C)Cc1ccc(-c2ccnc(-c3ccccc3)c2)cc1.Clc1ccc(-c2ccnc(-c3ccccc3)c2)cc1.O=[P+]([O-])O[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium?
The InChIKey is LPLRAXYOVYYFTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H23N.C17H12ClN.C5H13BO2.CH4.2K.HO4P.H/c1-22(2,3)16-17-9-11-18(12-10-17)20-13-14-23-21(15-20)19-7-5-4-6-8-19;18-16-8-6-13(7-9-16)15-10-11-19-17(12-15)14-4-2-1-3-5-14;1-5(2,3)4-6(7)8;;;;1-4-5(2)3;/h4-15H,16H2,1-3H3;1-12H;7-8H,4H2,1-3H3;1H4;;;1H;/q;;;;2*+1;;-1/p-1.
What are the key properties of dipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium?
dipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium has a molecular weight of 873.36 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-(4-chlorophenyl)-2-phenylpyridine;2,2-dimethylpropylboronic acid;4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;hydride;methane;oxido-oxidooxy-oxophosphanium is sourced from PubChem (CID 158144901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).