[3-(4-phenylphenyl)phenyl]boronic acid

C18H15BO2 — CID 71235180

IUPAC[3-(4-phenylphenyl)phenyl]boronic acid
SMILESOB(O)c1cccc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C18H15BO2/c20-19(21)18-8-4-7-17(13-18)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13,20-21H
InChIKeyMKYMRPWGXSEFKE-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.70
Rot. Bonds3

About [3-(4-phenylphenyl)phenyl]boronic acid

[3-(4-phenylphenyl)phenyl]boronic acid (PubChem CID 71235180) has the molecular formula C18H15BO2 and a molecular weight of 274.13 g/mol. Its IUPAC name is [3-(4-phenylphenyl)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(4-phenylphenyl)phenyl]boronic acid
PubChem CID71235180
Molecular FormulaC18H15BO2
Molecular Weight274.13 g/mol
Exact Mass274.12
IUPAC Name[3-(4-phenylphenyl)phenyl]boronic acid
SMILESOB(O)c1cccc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C18H15BO2/c20-19(21)18-8-4-7-17(13-18)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13,20-21H
InChIKeyMKYMRPWGXSEFKE-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-(4-phenylphenyl)phenyl]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

Related Compounds

M-Terphenyl
CID 7076
p-Terphenyl
CID 7115
O-Terphenyl
CID 6766
Triphenylethylene
CID 6025
4,4'-Biphenyldiboronic Acid
CID 2734608
1,1'-Biphenyl-4-yl-boronic acid
CID 151253
(3-Phenylphenyl)boronic acid
CID 2734315
Triphenylmethane
CID 10614
Triphenylcarbenium tetrafluoroborate
CID 2723955
(Naphthalen-2-yl)boronic acid
CID 2734375
p-Quaterphenyl
CID 8677
Bis-MSB
CID 94347

Frequently Asked Questions

What is the IUPAC name of [3-(4-phenylphenyl)phenyl]boronic acid?
The IUPAC name of [3-(4-phenylphenyl)phenyl]boronic acid (CID 71235180) is [3-(4-phenylphenyl)phenyl]boronic acid.
What is the SMILES notation for [3-(4-phenylphenyl)phenyl]boronic acid?
The canonical SMILES for [3-(4-phenylphenyl)phenyl]boronic acid is OB(O)c1cccc(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of [3-(4-phenylphenyl)phenyl]boronic acid?
The InChIKey is MKYMRPWGXSEFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BO2/c20-19(21)18-8-4-7-17(13-18)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13,20-21H.
What are the key properties of [3-(4-phenylphenyl)phenyl]boronic acid?
[3-(4-phenylphenyl)phenyl]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-(4-phenylphenyl)phenyl]boronic acid is sourced from PubChem (CID 71235180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).