(9-naphthalen-2-ylcarbazol-3-yl)boronic acid

C22H16BNO2 — CID 77231484

IUPAC(9-naphthalen-2-ylcarbazol-3-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1
InChIInChI=1S/C22H16BNO2/c25-23(26)17-10-12-22-20(14-17)19-7-3-4-8-21(19)24(22)18-11-9-15-5-1-2-6-16(15)13-18/h1-14,25-26H
InChIKeyNJKCFLBYPCPLOS-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.62
Rot. Bonds2

About (9-naphthalen-2-ylcarbazol-3-yl)boronic acid

(9-naphthalen-2-ylcarbazol-3-yl)boronic acid (PubChem CID 77231484) has the molecular formula C22H16BNO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is (9-naphthalen-2-ylcarbazol-3-yl)boronic acid.

Molecular Properties

Compound Name(9-naphthalen-2-ylcarbazol-3-yl)boronic acid
PubChem CID77231484
Molecular FormulaC22H16BNO2
Molecular Weight337.19 g/mol
Exact Mass337.13
IUPAC Name(9-naphthalen-2-ylcarbazol-3-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1
InChIInChI=1S/C22H16BNO2/c25-23(26)17-10-12-22-20(14-17)19-7-3-4-8-21(19)24(22)18-11-9-15-5-1-2-6-16(15)13-18/h1-14,25-26H
InChIKeyNJKCFLBYPCPLOS-UHFFFAOYSA-N
XLogP3.62
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (9-naphthalen-2-ylcarbazol-3-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

Frequently Asked Questions

What is the IUPAC name of (9-naphthalen-2-ylcarbazol-3-yl)boronic acid?
The IUPAC name of (9-naphthalen-2-ylcarbazol-3-yl)boronic acid (CID 77231484) is (9-naphthalen-2-ylcarbazol-3-yl)boronic acid.
What is the SMILES notation for (9-naphthalen-2-ylcarbazol-3-yl)boronic acid?
The canonical SMILES for (9-naphthalen-2-ylcarbazol-3-yl)boronic acid is OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1.
What is the InChIKey of (9-naphthalen-2-ylcarbazol-3-yl)boronic acid?
The InChIKey is NJKCFLBYPCPLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BNO2/c25-23(26)17-10-12-22-20(14-17)19-7-3-4-8-21(19)24(22)18-11-9-15-5-1-2-6-16(15)13-18/h1-14,25-26H.
What are the key properties of (9-naphthalen-2-ylcarbazol-3-yl)boronic acid?
(9-naphthalen-2-ylcarbazol-3-yl)boronic acid has a molecular weight of 337.19 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-naphthalen-2-ylcarbazol-3-yl)boronic acid is sourced from PubChem (CID 77231484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).