di(dibenzothiophen-4-yl)borinic acid

C24H15BOS2 — CID 73387203

IUPACdi(dibenzothiophen-4-yl)borinic acid
SMILESOB(c1cccc2c1sc1ccccc12)c1cccc2c1sc1ccccc12
InChIInChI=1S/C24H15BOS2/c26-25(19-11-5-9-17-15-7-1-3-13-21(15)27-23(17)19)20-12-6-10-18-16-8-2-4-14-22(16)28-24(18)20/h1-14,26H
InChIKeyICJCWQHATORRJW-UHFFFAOYSA-N
MW394.33 g/mol
LogP5.52
Rot. Bonds2

About di(dibenzothiophen-4-yl)borinic acid

di(dibenzothiophen-4-yl)borinic acid (PubChem CID 73387203) has the molecular formula C24H15BOS2 and a molecular weight of 394.33 g/mol. Its IUPAC name is di(dibenzothiophen-4-yl)borinic acid.

Molecular Properties

Compound Namedi(dibenzothiophen-4-yl)borinic acid
PubChem CID73387203
Molecular FormulaC24H15BOS2
Molecular Weight394.33 g/mol
Exact Mass394.07
IUPAC Namedi(dibenzothiophen-4-yl)borinic acid
SMILESOB(c1cccc2c1sc1ccccc12)c1cccc2c1sc1ccccc12
InChIInChI=1S/C24H15BOS2/c26-25(19-11-5-9-17-15-7-1-3-13-21(15)27-23(17)19)20-12-6-10-18-16-8-2-4-14-22(16)28-24(18)20/h1-14,26H
InChIKeyICJCWQHATORRJW-UHFFFAOYSA-N
XLogP5.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.33
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;butane;dibenzothiophene;dibenzothiophen-4-ylboronic acid;tripropan-2-yl borate
CID 167548322
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
CID 70969362
CID 70969362
1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine
CID 118133826
1-bromo-2-iodobenzene;4-(2-bromophenyl)dibenzothiophene;dibenzothiophen-4-ylboronic acid;methane
CID 157431022
tetra(dibenzothiophen-4-yl)-λ4-sulfane
CID 134590724
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
(2-carbazol-9-yldibenzothiophen-4-yl)boronic acid
CID 140799194
(6-dibenzothiophen-4-ylpyren-1-yl)boronic acid
CID 59758410
dibenzothiophene;methane
CID 162233710
1-dibenzothiophen-4-yl-4-(1-dibenzothiophen-4-yl-4-pyridinylidene)pyridine
CID 118952300
ethane;4-ethyldibenzothiophene
CID 123227550

Frequently Asked Questions

What is the IUPAC name of di(dibenzothiophen-4-yl)borinic acid?
The IUPAC name of di(dibenzothiophen-4-yl)borinic acid (CID 73387203) is di(dibenzothiophen-4-yl)borinic acid.
What is the SMILES notation for di(dibenzothiophen-4-yl)borinic acid?
The canonical SMILES for di(dibenzothiophen-4-yl)borinic acid is OB(c1cccc2c1sc1ccccc12)c1cccc2c1sc1ccccc12.
What is the InChIKey of di(dibenzothiophen-4-yl)borinic acid?
The InChIKey is ICJCWQHATORRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BOS2/c26-25(19-11-5-9-17-15-7-1-3-13-21(15)27-23(17)19)20-12-6-10-18-16-8-2-4-14-22(16)28-24(18)20/h1-14,26H.
What are the key properties of di(dibenzothiophen-4-yl)borinic acid?
di(dibenzothiophen-4-yl)borinic acid has a molecular weight of 394.33 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(dibenzothiophen-4-yl)borinic acid is sourced from PubChem (CID 73387203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).