(6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid

C24H15BO3S — CID 162462207

IUPAC(6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid
SMILESOB(O)c1cccc2c1sc1c(-c3cccc4c3oc3ccccc34)cccc12
InChIInChI=1S/C24H15BO3S/c26-25(27)20-12-5-11-19-18-10-4-9-17(23(18)29-24(19)20)16-8-3-7-15-14-6-1-2-13-21(14)28-22(15)16/h1-13,26-27H
InChIKeyPKKNSBNEOJZUOW-UHFFFAOYSA-N
MW394.26 g/mol
LogP5.30
Rot. Bonds2

About (6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid

(6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid (PubChem CID 162462207) has the molecular formula C24H15BO3S and a molecular weight of 394.26 g/mol. Its IUPAC name is (6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid.

Molecular Properties

Compound Name(6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid
PubChem CID162462207
Molecular FormulaC24H15BO3S
Molecular Weight394.26 g/mol
Exact Mass394.08
IUPAC Name(6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid
SMILESOB(O)c1cccc2c1sc1c(-c3cccc4c3oc3ccccc34)cccc12
InChIInChI=1S/C24H15BO3S/c26-25(27)20-12-5-11-19-18-10-4-9-17(23(18)29-24(19)20)16-8-3-7-15-14-6-1-2-13-21(14)28-22(15)16/h1-13,26-27H
InChIKeyPKKNSBNEOJZUOW-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

(4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid
CID 155730533
naphtho[1,2-b][1]benzofuran-4-ylboronic acid
CID 142752835
2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine
CID 155603268
(6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane
CID 140811666
dibenzofuran-4-ylboronic acid;methyl 2-dibenzofuran-4-ylbenzoate;methyl 2-iodobenzoate
CID 158331377
4-bromoaniline;4-(4-dibenzofuran-4-ylnaphthalen-1-yl)aniline;(4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid
CID 167676389
(8-dibenzofuran-4-yldibenzothiophen-2-yl)boronic acid
CID 141395438
1-bromo-6-naphthalen-1-yldibenzofuran;(6-naphthalen-1-yldibenzofuran-1-yl)boronic acid
CID 159775493
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
10-dibenzofuran-4-yl-22-dibenzothiophen-4-yl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene
CID 168856617
CID 160699482
CID 160699482
3-bromo-2-nitroaniline;dibenzofuran-4-ylboronic acid;3-dibenzofuran-4-yl-2-nitroaniline
CID 161149973

Frequently Asked Questions

What is the IUPAC name of (6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid?
The IUPAC name of (6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid (CID 162462207) is (6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid.
What is the SMILES notation for (6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid?
The canonical SMILES for (6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid is OB(O)c1cccc2c1sc1c(-c3cccc4c3oc3ccccc34)cccc12.
What is the InChIKey of (6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid?
The InChIKey is PKKNSBNEOJZUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BO3S/c26-25(27)20-12-5-11-19-18-10-4-9-17(23(18)29-24(19)20)16-8-3-7-15-14-6-1-2-13-21(14)28-22(15)16/h1-13,26-27H.
What are the key properties of (6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid?
(6-dibenzofuran-4-yldibenzothiophen-4-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 (6-dibenzofuran-4-yldibenzothiophen-4-yl)boronic acid is sourced from PubChem (CID 162462207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).