(5,6-diphenylnaphthalen-2-yl)boronic acid

C22H17BO2 — CID 150248709

IUPAC(5,6-diphenylnaphthalen-2-yl)boronic acid
SMILESOB(O)c1ccc2c(-c3ccccc3)c(-c3ccccc3)ccc2c1
InChIInChI=1S/C22H17BO2/c24-23(25)19-12-14-21-18(15-19)11-13-20(16-7-3-1-4-8-16)22(21)17-9-5-2-6-10-17/h1-15,24-25H
InChIKeyFZBNSSYTKCEHDL-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.85
Rot. Bonds3

About (5,6-diphenylnaphthalen-2-yl)boronic acid

(5,6-diphenylnaphthalen-2-yl)boronic acid (PubChem CID 150248709) has the molecular formula C22H17BO2 and a molecular weight of 324.19 g/mol. Its IUPAC name is (5,6-diphenylnaphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(5,6-diphenylnaphthalen-2-yl)boronic acid
PubChem CID150248709
Molecular FormulaC22H17BO2
Molecular Weight324.19 g/mol
Exact Mass324.13
IUPAC Name(5,6-diphenylnaphthalen-2-yl)boronic acid
SMILESOB(O)c1ccc2c(-c3ccccc3)c(-c3ccccc3)ccc2c1
InChIInChI=1S/C22H17BO2/c24-23(25)19-12-14-21-18(15-19)11-13-20(16-7-3-1-4-8-16)22(21)17-9-5-2-6-10-17/h1-15,24-25H
InChIKeyFZBNSSYTKCEHDL-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'}

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Frequently Asked Questions

What is the IUPAC name of (5,6-diphenylnaphthalen-2-yl)boronic acid?
The IUPAC name of (5,6-diphenylnaphthalen-2-yl)boronic acid (CID 150248709) is (5,6-diphenylnaphthalen-2-yl)boronic acid.
What is the SMILES notation for (5,6-diphenylnaphthalen-2-yl)boronic acid?
The canonical SMILES for (5,6-diphenylnaphthalen-2-yl)boronic acid is OB(O)c1ccc2c(-c3ccccc3)c(-c3ccccc3)ccc2c1.
What is the InChIKey of (5,6-diphenylnaphthalen-2-yl)boronic acid?
The InChIKey is FZBNSSYTKCEHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BO2/c24-23(25)19-12-14-21-18(15-19)11-13-20(16-7-3-1-4-8-16)22(21)17-9-5-2-6-10-17/h1-15,24-25H.
What are the key properties of (5,6-diphenylnaphthalen-2-yl)boronic acid?
(5,6-diphenylnaphthalen-2-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 (5,6-diphenylnaphthalen-2-yl)boronic acid is sourced from PubChem (CID 150248709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).