(8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid

C24H15BO3S — CID 141395438

IUPAC(8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid
SMILESOB(O)c1ccc2sc3ccc(-c4cccc5c4oc4ccccc45)cc3c2c1
InChIInChI=1S/C24H15BO3S/c26-25(27)15-9-11-23-20(13-15)19-12-14(8-10-22(19)29-23)16-5-3-6-18-17-4-1-2-7-21(17)28-24(16)18/h1-13,26-27H
InChIKeyTWMBYENVGCMGHI-UHFFFAOYSA-N
MW394.26 g/mol
LogP5.30
Rot. Bonds2

About (8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid

(8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid (PubChem CID 141395438) has the molecular formula C24H15BO3S and a molecular weight of 394.26 g/mol. Its IUPAC name is (8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid.

Molecular Properties

Compound Name(8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid
PubChem CID141395438
Molecular FormulaC24H15BO3S
Molecular Weight394.26 g/mol
Exact Mass394.08
IUPAC Name(8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid
SMILESOB(O)c1ccc2sc3ccc(-c4cccc5c4oc4ccccc45)cc3c2c1
InChIInChI=1S/C24H15BO3S/c26-25(27)15-9-11-23-20(13-15)19-12-14(8-10-22(19)29-23)16-5-3-6-18-17-4-1-2-7-21(17)28-24(16)18/h1-13,26-27H
InChIKeyTWMBYENVGCMGHI-UHFFFAOYSA-N
XLogP5.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.26
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (8-dibenzofuran-4-yldibenzothiophen-2-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

Related Compounds

(8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid
CID 168908514
(8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid
CID 141395434
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045
4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene
CID 160970567
6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran
CID 118349956
4-[3-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene;2-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 158785351
N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428236
6-(3-dibenzofuran-4-yl-5-triphenylen-2-ylphenyl)-3-[7-(4-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]dibenzofuran
CID 155257383
10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene
CID 164741566
6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine
CID 174244148
N-(2-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 167326338
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164972461

Frequently Asked Questions

What is the IUPAC name of (8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid?
The IUPAC name of (8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid (CID 141395438) is (8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid.
What is the SMILES notation for (8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid?
The canonical SMILES for (8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid is OB(O)c1ccc2sc3ccc(-c4cccc5c4oc4ccccc45)cc3c2c1.
What is the InChIKey of (8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid?
The InChIKey is TWMBYENVGCMGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BO3S/c26-25(27)15-9-11-23-20(13-15)19-12-14(8-10-22(19)29-23)16-5-3-6-18-17-4-1-2-7-21(17)28-24(16)18/h1-13,26-27H.
What are the key properties of (8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid?
(8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid has a molecular weight of 394.26 g/mol, XLogP of 5.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid is sourced from PubChem (CID 141395438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).