(4,6-diphenyl-2-pyridinyl)oxyboronic acid

C17H14BNO3 — CID 175060853

IUPAC(4,6-diphenyl-2-pyridinyl)oxyboronic acid
SMILESOB(O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H14BNO3/c20-18(21)22-17-12-15(13-7-3-1-4-8-13)11-16(19-17)14-9-5-2-6-10-14/h1-12,20-21H
InChIKeySSSRHSFARVYYTQ-UHFFFAOYSA-N
MW291.12 g/mol
LogP2.76
Rot. Bonds4

About (4,6-diphenyl-2-pyridinyl)oxyboronic acid

(4,6-diphenyl-2-pyridinyl)oxyboronic acid (PubChem CID 175060853) has the molecular formula C17H14BNO3 and a molecular weight of 291.12 g/mol. Its IUPAC name is (4,6-diphenyl-2-pyridinyl)oxyboronic acid.

Molecular Properties

Compound Name(4,6-diphenyl-2-pyridinyl)oxyboronic acid
PubChem CID175060853
Molecular FormulaC17H14BNO3
Molecular Weight291.12 g/mol
Exact Mass291.11
IUPAC Name(4,6-diphenyl-2-pyridinyl)oxyboronic acid
SMILESOB(O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H14BNO3/c20-18(21)22-17-12-15(13-7-3-1-4-8-13)11-16(19-17)14-9-5-2-6-10-14/h1-12,20-21H
InChIKeySSSRHSFARVYYTQ-UHFFFAOYSA-N
XLogP2.76
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 52.76
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

4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
4-(2,6-diphenyl-4-pyridinyl)phenol
CID 4640455
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
4-[4-[4-[4-(2,6-diphenyl-4-pyridinyl)phenoxy]phenoxy]phenyl]-2,6-diphenylpyridine
CID 58692915
2-ethoxy-4-(4-fluorophenyl)-6-phenylpyridine
CID 154644656
2-methyl-4,6-diphenylpyridine
CID 618669

Frequently Asked Questions

What is the IUPAC name of (4,6-diphenyl-2-pyridinyl)oxyboronic acid?
The IUPAC name of (4,6-diphenyl-2-pyridinyl)oxyboronic acid (CID 175060853) is (4,6-diphenyl-2-pyridinyl)oxyboronic acid.
What is the SMILES notation for (4,6-diphenyl-2-pyridinyl)oxyboronic acid?
The canonical SMILES for (4,6-diphenyl-2-pyridinyl)oxyboronic acid is OB(O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of (4,6-diphenyl-2-pyridinyl)oxyboronic acid?
The InChIKey is SSSRHSFARVYYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BNO3/c20-18(21)22-17-12-15(13-7-3-1-4-8-13)11-16(19-17)14-9-5-2-6-10-14/h1-12,20-21H.
What are the key properties of (4,6-diphenyl-2-pyridinyl)oxyboronic acid?
(4,6-diphenyl-2-pyridinyl)oxyboronic acid has a molecular weight of 291.12 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diphenyl-2-pyridinyl)oxyboronic acid is sourced from PubChem (CID 175060853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).