[4-(4-phenylphenyl)naphthalen-1-yl]boronic acid

C22H17BO2 — CID 73099569

IUPAC[4-(4-phenylphenyl)naphthalen-1-yl]boronic acid
SMILESOB(O)c1ccc(-c2ccc(-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C22H17BO2/c24-23(25)22-15-14-19(20-8-4-5-9-21(20)22)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-15,24-25H
InChIKeyWECICLPJSYRLPG-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.85
Rot. Bonds3

About [4-(4-phenylphenyl)naphthalen-1-yl]boronic acid

[4-(4-phenylphenyl)naphthalen-1-yl]boronic acid (PubChem CID 73099569) has the molecular formula C22H17BO2 and a molecular weight of 324.19 g/mol. Its IUPAC name is [4-(4-phenylphenyl)naphthalen-1-yl]boronic acid.

Molecular Properties

Compound Name[4-(4-phenylphenyl)naphthalen-1-yl]boronic acid
PubChem CID73099569
Molecular FormulaC22H17BO2
Molecular Weight324.19 g/mol
Exact Mass324.13
IUPAC Name[4-(4-phenylphenyl)naphthalen-1-yl]boronic acid
SMILESOB(O)c1ccc(-c2ccc(-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C22H17BO2/c24-23(25)22-15-14-19(20-8-4-5-9-21(20)22)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-15,24-25H
InChIKeyWECICLPJSYRLPG-UHFFFAOYSA-N
XLogP3.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(4-phenylphenyl)naphthalen-1-yl]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

(4-pyridin-3-ylnaphthalen-1-yl)boronic acid
CID 141400431
[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]boronic acid
CID 118992312
[4-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]boronic acid
CID 171410390
1-bromo-3-iodobenzene;1-(3-bromophenyl)-4-phenylnaphthalene;(4-naphthalen-2-ylnaphthalen-1-yl)boronic acid;1-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]naphthalene;(4-phenylnaphthalen-1-yl)boronic acid
CID 158407043
2-bromo-4-(4-phenylphenyl)quinazoline;[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]boronic acid;4-[4-[4-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]phenyl]benzonitrile
CID 163913286
1-fluoro-4-(4-phenylphenyl)naphthalene
CID 165394983
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
N,N-dihydroxy-4-phenylnaphthalen-1-amine
CID 165155590
(2-formyl-3-methyl-4-phenylphenyl)boronic acid
CID 156901582
[4-[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]phenyl]boronic acid
CID 142751458
4-bromoaniline;4-(4-dibenzofuran-4-ylnaphthalen-1-yl)aniline;(4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid
CID 167676389
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenylphenyl)naphthalen-1-yl]boronic acid?
The IUPAC name of [4-(4-phenylphenyl)naphthalen-1-yl]boronic acid (CID 73099569) is [4-(4-phenylphenyl)naphthalen-1-yl]boronic acid.
What is the SMILES notation for [4-(4-phenylphenyl)naphthalen-1-yl]boronic acid?
The canonical SMILES for [4-(4-phenylphenyl)naphthalen-1-yl]boronic acid is OB(O)c1ccc(-c2ccc(-c3ccccc3)cc2)c2ccccc12.
What is the InChIKey of [4-(4-phenylphenyl)naphthalen-1-yl]boronic acid?
The InChIKey is WECICLPJSYRLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BO2/c24-23(25)22-15-14-19(20-8-4-5-9-21(20)22)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-15,24-25H.
What are the key properties of [4-(4-phenylphenyl)naphthalen-1-yl]boronic acid?
[4-(4-phenylphenyl)naphthalen-1-yl]boronic acid has a molecular weight of 324.19 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenylphenyl)naphthalen-1-yl]boronic acid is sourced from PubChem (CID 73099569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).