(6-triphenylsilylnaphthalen-2-yl)boronic acid

C28H23BO2Si — CID 142699761

IUPAC(6-triphenylsilylnaphthalen-2-yl)boronic acid
SMILESOB(O)c1ccc2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc2c1
InChIInChI=1S/C28H23BO2Si/c30-29(31)24-18-16-23-21-28(19-17-22(23)20-24)32(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-21,30-31H
InChIKeyQYOMHGJAJXWHKE-UHFFFAOYSA-N
MW430.39 g/mol
LogP1.90
Rot. Bonds5

About (6-triphenylsilylnaphthalen-2-yl)boronic acid

(6-triphenylsilylnaphthalen-2-yl)boronic acid (PubChem CID 142699761) has the molecular formula C28H23BO2Si and a molecular weight of 430.39 g/mol. Its IUPAC name is (6-triphenylsilylnaphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(6-triphenylsilylnaphthalen-2-yl)boronic acid
PubChem CID142699761
Molecular FormulaC28H23BO2Si
Molecular Weight430.39 g/mol
Exact Mass430.16
IUPAC Name(6-triphenylsilylnaphthalen-2-yl)boronic acid
SMILESOB(O)c1ccc2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc2c1
InChIInChI=1S/C28H23BO2Si/c30-29(31)24-18-16-23-21-28(19-17-22(23)20-24)32(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-21,30-31H
InChIKeyQYOMHGJAJXWHKE-UHFFFAOYSA-N
XLogP1.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-triphenylsilylnaphthalen-2-yl)boronic acid?
The IUPAC name of (6-triphenylsilylnaphthalen-2-yl)boronic acid (CID 142699761) is (6-triphenylsilylnaphthalen-2-yl)boronic acid.
What is the SMILES notation for (6-triphenylsilylnaphthalen-2-yl)boronic acid?
The canonical SMILES for (6-triphenylsilylnaphthalen-2-yl)boronic acid is OB(O)c1ccc2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc2c1.
What is the InChIKey of (6-triphenylsilylnaphthalen-2-yl)boronic acid?
The InChIKey is QYOMHGJAJXWHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BO2Si/c30-29(31)24-18-16-23-21-28(19-17-22(23)20-24)32(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-21,30-31H.
What are the key properties of (6-triphenylsilylnaphthalen-2-yl)boronic acid?
(6-triphenylsilylnaphthalen-2-yl)boronic acid has a molecular weight of 430.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-triphenylsilylnaphthalen-2-yl)boronic acid is sourced from PubChem (CID 142699761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).