(3,5-diphenylphenyl)boronic acid

C18H15BO2 — CID 14739363

IUPAC(3,5-diphenylphenyl)boronic acid
SMILESOB(O)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C18H15BO2/c20-19(21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13,20-21H
InChIKeyMRBZYVMZUBUDAX-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.70
Rot. Bonds3

About (3,5-diphenylphenyl)boronic acid

(3,5-diphenylphenyl)boronic acid (PubChem CID 14739363) has the molecular formula C18H15BO2 and a molecular weight of 274.13 g/mol. Its IUPAC name is (3,5-diphenylphenyl)boronic acid.

Molecular Properties

Compound Name(3,5-diphenylphenyl)boronic acid
PubChem CID14739363
Molecular FormulaC18H15BO2
Molecular Weight274.13 g/mol
Exact Mass274.12
IUPAC Name(3,5-diphenylphenyl)boronic acid
SMILESOB(O)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C18H15BO2/c20-19(21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13,20-21H
InChIKeyMRBZYVMZUBUDAX-UHFFFAOYSA-N
XLogP2.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3,5-diphenylphenyl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,5-diphenylphenyl)boronic acid?
The IUPAC name of (3,5-diphenylphenyl)boronic acid (CID 14739363) is (3,5-diphenylphenyl)boronic acid.
What is the SMILES notation for (3,5-diphenylphenyl)boronic acid?
The canonical SMILES for (3,5-diphenylphenyl)boronic acid is OB(O)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of (3,5-diphenylphenyl)boronic acid?
The InChIKey is MRBZYVMZUBUDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BO2/c20-19(21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13,20-21H.
What are the key properties of (3,5-diphenylphenyl)boronic acid?
(3,5-diphenylphenyl)boronic acid has a molecular weight of 274.13 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diphenylphenyl)boronic acid is sourced from PubChem (CID 14739363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).