[2-(4-chlorophenyl)phenyl]-diphenylborane

C24H18BCl — CID 141204826

IUPAC[2-(4-chlorophenyl)phenyl]-diphenylborane
SMILESClc1ccc(-c2ccccc2B(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H18BCl/c26-22-17-15-19(16-18-22)23-13-7-8-14-24(23)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18H
InChIKeyGGWDHVCGALTZNT-UHFFFAOYSA-N
MW352.67 g/mol
LogP4.52
Rot. Bonds4

About [2-(4-chlorophenyl)phenyl]-diphenylborane

[2-(4-chlorophenyl)phenyl]-diphenylborane (PubChem CID 141204826) has the molecular formula C24H18BCl and a molecular weight of 352.67 g/mol. Its IUPAC name is [2-(4-chlorophenyl)phenyl]-diphenylborane.

Molecular Properties

Compound Name[2-(4-chlorophenyl)phenyl]-diphenylborane
PubChem CID141204826
Molecular FormulaC24H18BCl
Molecular Weight352.67 g/mol
Exact Mass352.12
IUPAC Name[2-(4-chlorophenyl)phenyl]-diphenylborane
SMILESClc1ccc(-c2ccccc2B(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H18BCl/c26-22-17-15-19(16-18-22)23-13-7-8-14-24(23)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18H
InChIKeyGGWDHVCGALTZNT-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.67
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [2-(4-chlorophenyl)phenyl]-diphenylborane?
The IUPAC name of [2-(4-chlorophenyl)phenyl]-diphenylborane (CID 141204826) is [2-(4-chlorophenyl)phenyl]-diphenylborane.
What is the SMILES notation for [2-(4-chlorophenyl)phenyl]-diphenylborane?
The canonical SMILES for [2-(4-chlorophenyl)phenyl]-diphenylborane is Clc1ccc(-c2ccccc2B(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-chlorophenyl)phenyl]-diphenylborane?
The InChIKey is GGWDHVCGALTZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BCl/c26-22-17-15-19(16-18-22)23-13-7-8-14-24(23)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18H.
What are the key properties of [2-(4-chlorophenyl)phenyl]-diphenylborane?
[2-(4-chlorophenyl)phenyl]-diphenylborane has a molecular weight of 352.67 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)phenyl]-diphenylborane is sourced from PubChem (CID 141204826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).