[6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid

C23H18BNO2 — CID 171734296

IUPAC[6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid
SMILESOB(O)c1cccc(-c2c(-c3ccccc3)cccc2-c2ccccc2)n1
InChIInChI=1S/C23H18BNO2/c26-24(27)22-16-8-15-21(25-22)23-19(17-9-3-1-4-10-17)13-7-14-20(23)18-11-5-2-6-12-18/h1-16,26-27H
InChIKeyABFGJJIFDSWZLG-UHFFFAOYSA-N
MW351.21 g/mol
LogP3.76
Rot. Bonds4

About [6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid

[6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid (PubChem CID 171734296) has the molecular formula C23H18BNO2 and a molecular weight of 351.21 g/mol. Its IUPAC name is [6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid
PubChem CID171734296
Molecular FormulaC23H18BNO2
Molecular Weight351.21 g/mol
Exact Mass351.14
IUPAC Name[6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid
SMILESOB(O)c1cccc(-c2c(-c3ccccc3)cccc2-c2ccccc2)n1
InChIInChI=1S/C23H18BNO2/c26-24(27)22-16-8-15-21(25-22)23-19(17-9-3-1-4-10-17)13-7-14-20(23)18-11-5-2-6-12-18/h1-16,26-27H
InChIKeyABFGJJIFDSWZLG-UHFFFAOYSA-N
XLogP3.76
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol
CID 154622833
2-[2-(2-phenylphenyl)-6-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
CID 141341209
2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine
CID 171052343
[3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid
CID 69442046
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 122423525
[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]boronic acid
CID 140784841
[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]boronic acid
CID 171054914
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
azulene;boric acid
CID 175218967
2-(2-hydroxy-6-phenylphenyl)-6-phenylphenol
CID 155664156
[2-(3,5,6-triphenylpyrazin-2-yl)phenyl]boronic acid
CID 154791888

Frequently Asked Questions

What is the IUPAC name of [6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid?
The IUPAC name of [6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid (CID 171734296) is [6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid.
What is the SMILES notation for [6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid?
The canonical SMILES for [6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid is OB(O)c1cccc(-c2c(-c3ccccc3)cccc2-c2ccccc2)n1.
What is the InChIKey of [6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid?
The InChIKey is ABFGJJIFDSWZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BNO2/c26-24(27)22-16-8-15-21(25-22)23-19(17-9-3-1-4-10-17)13-7-14-20(23)18-11-5-2-6-12-18/h1-16,26-27H.
What are the key properties of [6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid?
[6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid has a molecular weight of 351.21 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,6-diphenylphenyl)-2-pyridinyl]boronic acid is sourced from PubChem (CID 171734296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).