[4-(4-carbazol-9-ylphenyl)phenyl]boronic acid

C24H18BNO2 — CID 58892383

IUPAC[4-(4-carbazol-9-ylphenyl)phenyl]boronic acid
SMILESOB(O)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C24H18BNO2/c27-25(28)19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26/h1-16,27-28H
InChIKeyYVBMFCFOASRILM-UHFFFAOYSA-N
MW363.23 g/mol
LogP4.13
Rot. Bonds3

About [4-(4-carbazol-9-ylphenyl)phenyl]boronic acid

[4-(4-carbazol-9-ylphenyl)phenyl]boronic acid (PubChem CID 58892383) has the molecular formula C24H18BNO2 and a molecular weight of 363.23 g/mol. Its IUPAC name is [4-(4-carbazol-9-ylphenyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(4-carbazol-9-ylphenyl)phenyl]boronic acid
PubChem CID58892383
Molecular FormulaC24H18BNO2
Molecular Weight363.23 g/mol
Exact Mass363.14
IUPAC Name[4-(4-carbazol-9-ylphenyl)phenyl]boronic acid
SMILESOB(O)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C24H18BNO2/c27-25(28)19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26/h1-16,27-28H
InChIKeyYVBMFCFOASRILM-UHFFFAOYSA-N
XLogP4.13
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [4-(4-carbazol-9-ylphenyl)phenyl]boronic acid?
The IUPAC name of [4-(4-carbazol-9-ylphenyl)phenyl]boronic acid (CID 58892383) is [4-(4-carbazol-9-ylphenyl)phenyl]boronic acid.
What is the SMILES notation for [4-(4-carbazol-9-ylphenyl)phenyl]boronic acid?
The canonical SMILES for [4-(4-carbazol-9-ylphenyl)phenyl]boronic acid is OB(O)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of [4-(4-carbazol-9-ylphenyl)phenyl]boronic acid?
The InChIKey is YVBMFCFOASRILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BNO2/c27-25(28)19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26/h1-16,27-28H.
What are the key properties of [4-(4-carbazol-9-ylphenyl)phenyl]boronic acid?
[4-(4-carbazol-9-ylphenyl)phenyl]boronic acid has a molecular weight of 363.23 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-carbazol-9-ylphenyl)phenyl]boronic acid is sourced from PubChem (CID 58892383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).