(8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid

C24H15BO3S — CID 141395434

IUPAC(8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid
SMILESOB(O)c1ccc2oc3ccc(-c4cccc5c4sc4ccccc45)cc3c2c1
InChIInChI=1S/C24H15BO3S/c26-25(27)15-9-11-22-20(13-15)19-12-14(8-10-21(19)28-22)16-5-3-6-18-17-4-1-2-7-23(17)29-24(16)18/h1-13,26-27H
InChIKeyYYDATQATAHMSNT-UHFFFAOYSA-N
MW394.26 g/mol
LogP5.30
Rot. Bonds2

About (8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid

(8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid (PubChem CID 141395434) has the molecular formula C24H15BO3S and a molecular weight of 394.26 g/mol. Its IUPAC name is (8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid.

Molecular Properties

Compound Name(8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid
PubChem CID141395434
Molecular FormulaC24H15BO3S
Molecular Weight394.26 g/mol
Exact Mass394.08
IUPAC Name(8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid
SMILESOB(O)c1ccc2oc3ccc(-c4cccc5c4sc4ccccc45)cc3c2c1
InChIInChI=1S/C24H15BO3S/c26-25(27)15-9-11-22-20(13-15)19-12-14(8-10-21(19)28-22)16-5-3-6-18-17-4-1-2-7-23(17)29-24(16)18/h1-13,26-27H
InChIKeyYYDATQATAHMSNT-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'}

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Related Compounds

2-dibenzothiophen-4-yldibenzofuran
CID 137466632
2,8-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran
CID 139572206
(8-dibenzofuran-4-yldibenzofuran-2-yl)boronic acid
CID 168908514
20-dibenzothiophen-4-yl-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 89348416
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-(3-dibenzothiophen-4-ylphenyl)aniline
CID 118428359
(8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid
CID 141395438
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-7-phenylxanthen-9-one
CID 177106363
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428297
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
2-dibenzothiophen-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952521
4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran
CID 158113882

Frequently Asked Questions

What is the IUPAC name of (8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid?
The IUPAC name of (8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid (CID 141395434) is (8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid.
What is the SMILES notation for (8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid?
The canonical SMILES for (8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid is OB(O)c1ccc2oc3ccc(-c4cccc5c4sc4ccccc45)cc3c2c1.
What is the InChIKey of (8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid?
The InChIKey is YYDATQATAHMSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BO3S/c26-25(27)15-9-11-22-20(13-15)19-12-14(8-10-21(19)28-22)16-5-3-6-18-17-4-1-2-7-23(17)29-24(16)18/h1-13,26-27H.
What are the key properties of (8-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid?
(8-dibenzothiophen-4-yldibenzofuran-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-dibenzothiophen-4-yldibenzofuran-2-yl)boronic acid is sourced from PubChem (CID 141395434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).