[2-(9H-carbazol-1-yl)phenyl]boronic acid

C18H14BNO2 — CID 66887079

IUPAC[2-(9H-carbazol-1-yl)phenyl]boronic acid
SMILESOB(O)c1ccccc1-c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H14BNO2/c21-19(22)16-10-3-1-6-12(16)14-8-5-9-15-13-7-2-4-11-17(13)20-18(14)15/h1-11,20-22H
InChIKeyNBLNREJCKMFBEJ-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.67
Rot. Bonds2

About [2-(9H-carbazol-1-yl)phenyl]boronic acid

[2-(9H-carbazol-1-yl)phenyl]boronic acid (PubChem CID 66887079) has the molecular formula C18H14BNO2 and a molecular weight of 287.13 g/mol. Its IUPAC name is [2-(9H-carbazol-1-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[2-(9H-carbazol-1-yl)phenyl]boronic acid
PubChem CID66887079
Molecular FormulaC18H14BNO2
Molecular Weight287.13 g/mol
Exact Mass287.11
IUPAC Name[2-(9H-carbazol-1-yl)phenyl]boronic acid
SMILESOB(O)c1ccccc1-c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H14BNO2/c21-19(22)16-10-3-1-6-12(16)14-8-5-9-15-13-7-2-4-11-17(13)20-18(14)15/h1-11,20-22H
InChIKeyNBLNREJCKMFBEJ-UHFFFAOYSA-N
XLogP2.67
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.67
H-Bond Donors ≤ 53
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 [2-(9H-carbazol-1-yl)phenyl]boronic acid?
The IUPAC name of [2-(9H-carbazol-1-yl)phenyl]boronic acid (CID 66887079) is [2-(9H-carbazol-1-yl)phenyl]boronic acid.
What is the SMILES notation for [2-(9H-carbazol-1-yl)phenyl]boronic acid?
The canonical SMILES for [2-(9H-carbazol-1-yl)phenyl]boronic acid is OB(O)c1ccccc1-c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of [2-(9H-carbazol-1-yl)phenyl]boronic acid?
The InChIKey is NBLNREJCKMFBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BNO2/c21-19(22)16-10-3-1-6-12(16)14-8-5-9-15-13-7-2-4-11-17(13)20-18(14)15/h1-11,20-22H.
What are the key properties of [2-(9H-carbazol-1-yl)phenyl]boronic acid?
[2-(9H-carbazol-1-yl)phenyl]boronic acid has a molecular weight of 287.13 g/mol, XLogP of 2.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-carbazol-1-yl)phenyl]boronic acid is sourced from PubChem (CID 66887079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).