(2-dibenzothiophen-3-ylphenyl)boronic acid

C18H13BO2S — CID 142752826

IUPAC(2-dibenzothiophen-3-ylphenyl)boronic acid
SMILESOB(O)c1ccccc1-c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C18H13BO2S/c20-19(21)16-7-3-1-5-13(16)12-9-10-15-14-6-2-4-8-17(14)22-18(15)11-12/h1-11,20-21H
InChIKeyRKIXNLBZQNXJAN-UHFFFAOYSA-N
MW304.18 g/mol
LogP3.40
Rot. Bonds2

About (2-dibenzothiophen-3-ylphenyl)boronic acid

(2-dibenzothiophen-3-ylphenyl)boronic acid (PubChem CID 142752826) has the molecular formula C18H13BO2S and a molecular weight of 304.18 g/mol. Its IUPAC name is (2-dibenzothiophen-3-ylphenyl)boronic acid.

Molecular Properties

Compound Name(2-dibenzothiophen-3-ylphenyl)boronic acid
PubChem CID142752826
Molecular FormulaC18H13BO2S
Molecular Weight304.18 g/mol
Exact Mass304.07
IUPAC Name(2-dibenzothiophen-3-ylphenyl)boronic acid
SMILESOB(O)c1ccccc1-c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C18H13BO2S/c20-19(21)16-7-3-1-5-13(16)12-9-10-15-14-6-2-4-8-17(14)22-18(15)11-12/h1-11,20-21H
InChIKeyRKIXNLBZQNXJAN-UHFFFAOYSA-N
XLogP3.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-dibenzothiophen-3-yldibenzothiophen-1-yl)boronic acid
CID 170529242
3-(2-methyl-3-phenylphenyl)dibenzothiophene
CID 146397483
3-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzothiophene
CID 118516709
2-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093
3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene
CID 67964023
3-[10-(10-dibenzothiophen-3-ylanthracen-9-yl)anthracen-9-yl]dibenzothiophene
CID 89273646
2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine
CID 155603296
2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251324
(2-naphtho[2,1-b][1]benzothiol-11-ylphenyl)boronic acid
CID 142752830
(9-phenylnaphtho[1,2-b][1]benzothiol-5-yl)boronic acid
CID 177294797
5,11-bis(4-dibenzothiophen-3-ylnaphthalen-1-yl)indolo[3,2-b]carbazole
CID 170393963
N-[4-(2-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159692895

Frequently Asked Questions

What is the IUPAC name of (2-dibenzothiophen-3-ylphenyl)boronic acid?
The IUPAC name of (2-dibenzothiophen-3-ylphenyl)boronic acid (CID 142752826) is (2-dibenzothiophen-3-ylphenyl)boronic acid.
What is the SMILES notation for (2-dibenzothiophen-3-ylphenyl)boronic acid?
The canonical SMILES for (2-dibenzothiophen-3-ylphenyl)boronic acid is OB(O)c1ccccc1-c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of (2-dibenzothiophen-3-ylphenyl)boronic acid?
The InChIKey is RKIXNLBZQNXJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BO2S/c20-19(21)16-7-3-1-5-13(16)12-9-10-15-14-6-2-4-8-17(14)22-18(15)11-12/h1-11,20-21H.
What are the key properties of (2-dibenzothiophen-3-ylphenyl)boronic acid?
(2-dibenzothiophen-3-ylphenyl)boronic acid has a molecular weight of 304.18 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dibenzothiophen-3-ylphenyl)boronic acid is sourced from PubChem (CID 142752826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).