4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C23H22BNO3 — CID 169262165

IUPAC4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cnccc2-c2ccc3oc4ccccc4c3c2)OC1(C)C
InChIInChI=1S/C23H22BNO3/c1-22(2)23(3,4)28-24(27-22)19-14-25-12-11-16(19)15-9-10-21-18(13-15)17-7-5-6-8-20(17)26-21/h5-14H,1-4H3
InChIKeyMQHFDZVBBBRGGJ-UHFFFAOYSA-N
MW371.25 g/mol
LogP4.95
Rot. Bonds2

About 4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 169262165) has the molecular formula C23H22BNO3 and a molecular weight of 371.25 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID169262165
Molecular FormulaC23H22BNO3
Molecular Weight371.25 g/mol
Exact Mass371.17
IUPAC Name4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cnccc2-c2ccc3oc4ccccc4c3c2)OC1(C)C
InChIInChI=1S/C23H22BNO3/c1-22(2)23(3,4)28-24(27-22)19-14-25-12-11-16(19)15-9-10-21-18(13-15)17-7-5-6-8-20(17)26-21/h5-14H,1-4H3
InChIKeyMQHFDZVBBBRGGJ-UHFFFAOYSA-N
XLogP4.95
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine 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

5-dibenzofuran-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 90224396
2,4-di(dibenzofuran-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
CID 176740304
4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane
CID 152830256
2-(3-dibenzofuran-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140828348
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 142598773
2-[3-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161002793
4,4,5,5-tetramethyl-2-[4-(8-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,2-dioxaborolane
CID 163974886
4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane
CID 156631285
2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176745218
2-[4-(4-deuteriodibenzofuran-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171449572
2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 153289648
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 168785088

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 169262165) is 4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2cnccc2-c2ccc3oc4ccccc4c3c2)OC1(C)C.
What is the InChIKey of 4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is MQHFDZVBBBRGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BNO3/c1-22(2)23(3,4)28-24(27-22)19-14-25-12-11-16(19)15-9-10-21-18(13-15)17-7-5-6-8-20(17)26-21/h5-14H,1-4H3.
What are the key properties of 4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 371.25 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 169262165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).