4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane

C49H56BClN2O2 — CID 159280073

IUPAC4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane
SMILESC.Cc1cnc(-c2ccccc2)cc1-c1ccc(C2CCCCC2)cc1.Cc1cnc(-c2ccccc2)cc1Cl.OB(O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H25N.C12H17BO2.C12H10ClN.CH4/c1-18-17-25-24(22-10-6-3-7-11-22)16-23(18)21-14-12-20(13-15-21)19-8-4-2-5-9-19;14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-9-8-14-12(7-11(9)13)10-5-3-2-4-6-10;/h3,6-7,10-17,19H,2,4-5,8-9H2,1H3;6-10,14-15H,1-5H2;2-8H,1H3;1H4
InChIKeyKYULHXOPXBBHPK-UHFFFAOYSA-N
MW751.26 g/mol
LogP12.53
Rot. Bonds6

About 4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane

4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane (PubChem CID 159280073) has the molecular formula C49H56BClN2O2 and a molecular weight of 751.26 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane.

Molecular Properties

Compound Name4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane
PubChem CID159280073
Molecular FormulaC49H56BClN2O2
Molecular Weight751.26 g/mol
Exact Mass750.41
IUPAC Name4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane
SMILESC.Cc1cnc(-c2ccccc2)cc1-c1ccc(C2CCCCC2)cc1.Cc1cnc(-c2ccccc2)cc1Cl.OB(O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H25N.C12H17BO2.C12H10ClN.CH4/c1-18-17-25-24(22-10-6-3-7-11-22)16-23(18)21-14-12-20(13-15-21)19-8-4-2-5-9-19;14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-9-8-14-12(7-11(9)13)10-5-3-2-4-6-10;/h3,6-7,10-17,19H,2,4-5,8-9H2,1H3;6-10,14-15H,1-5H2;2-8H,1H3;1H4
InChIKeyKYULHXOPXBBHPK-UHFFFAOYSA-N
XLogP12.53
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.26
LogP ≤ 512.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine
CID 171405147
2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine
CID 169048591
4-(4-cyclohexylphenyl)-5-[2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenylpyridine
CID 169048532
2-[4-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]phenyl]-4-(4-cyclohexylphenyl)-5-(trideuteriomethyl)pyridine
CID 171404969
2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909436
4-(5-methyl-4-phenyl-2-pyridinyl)benzonitrile
CID 168821635
5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine
CID 116506889
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
4-cyclohexyl-2,6-diphenylpyridine
CID 13415243

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane?
The IUPAC name of 4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane (CID 159280073) is 4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane.
What is the SMILES notation for 4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane?
The canonical SMILES for 4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane is C.Cc1cnc(-c2ccccc2)cc1-c1ccc(C2CCCCC2)cc1.Cc1cnc(-c2ccccc2)cc1Cl.OB(O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane?
The InChIKey is KYULHXOPXBBHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N.C12H17BO2.C12H10ClN.CH4/c1-18-17-25-24(22-10-6-3-7-11-22)16-23(18)21-14-12-20(13-15-21)19-8-4-2-5-9-19;14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-9-8-14-12(7-11(9)13)10-5-3-2-4-6-10;/h3,6-7,10-17,19H,2,4-5,8-9H2,1H3;6-10,14-15H,1-5H2;2-8H,1H3;1H4.
What are the key properties of 4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane?
4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane has a molecular weight of 751.26 g/mol, XLogP of 12.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane is sourced from PubChem (CID 159280073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).