[3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid

C24H19BO2 — CID 69442046

IUPAC[3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid
SMILESOB(O)c1cccc(-c2ccccc2-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C24H19BO2/c26-25(27)20-12-8-11-19(17-20)22-14-5-7-16-24(22)23-15-6-4-13-21(23)18-9-2-1-3-10-18/h1-17,26-27H
InChIKeyZVMKTRKMIDPZKR-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.37
Rot. Bonds4

About [3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid

[3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid (PubChem CID 69442046) has the molecular formula C24H19BO2 and a molecular weight of 350.23 g/mol. Its IUPAC name is [3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid.

Molecular Properties

Compound Name[3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid
PubChem CID69442046
Molecular FormulaC24H19BO2
Molecular Weight350.23 g/mol
Exact Mass350.15
IUPAC Name[3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid
SMILESOB(O)c1cccc(-c2ccccc2-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C24H19BO2/c26-25(27)20-12-8-11-19(17-20)22-14-5-7-16-24(22)23-15-6-4-13-21(23)18-9-2-1-3-10-18/h1-17,26-27H
InChIKeyZVMKTRKMIDPZKR-UHFFFAOYSA-N
XLogP4.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid?
The IUPAC name of [3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid (CID 69442046) is [3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid.
What is the SMILES notation for [3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid?
The canonical SMILES for [3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid is OB(O)c1cccc(-c2ccccc2-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of [3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid?
The InChIKey is ZVMKTRKMIDPZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BO2/c26-25(27)20-12-8-11-19(17-20)22-14-5-7-16-24(22)23-15-6-4-13-21(23)18-9-2-1-3-10-18/h1-17,26-27H.
What are the key properties of [3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid?
[3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid has a molecular weight of 350.23 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid is sourced from PubChem (CID 69442046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).