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

C23H22BNO3 — CID 123749789

IUPAC2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(-c3cccc4c3oc3ccccc34)nc2)OC1(C)C
InChIInChI=1S/C23H22BNO3/c1-22(2)23(3,4)28-24(27-22)15-12-13-19(25-14-15)18-10-7-9-17-16-8-5-6-11-20(16)26-21(17)18/h5-14H,1-4H3
InChIKeyJJIZVNSKXXFXKK-UHFFFAOYSA-N
MW371.25 g/mol
LogP4.95
Rot. Bonds2

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

2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 123749789) has the molecular formula C23H22BNO3 and a molecular weight of 371.25 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID123749789
Molecular FormulaC23H22BNO3
Molecular Weight371.25 g/mol
Exact Mass371.17
IUPAC Name2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(-c3cccc4c3oc3ccccc34)nc2)OC1(C)C
InChIInChI=1S/C23H22BNO3/c1-22(2)23(3,4)28-24(27-22)15-12-13-19(25-14-15)18-10-7-9-17-16-8-5-6-11-20(16)26-21(17)18/h5-14H,1-4H3
InChIKeyJJIZVNSKXXFXKK-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 2-dibenzofuran-4-yl-5-(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

2-dibenzofuran-4-yl-5-propan-2-ylpyridine
CID 71236317
5-tert-butyl-2-dibenzofuran-4-ylpyridine
CID 176637514
2-[4-[1-(1-dibenzofuran-4-yldibenzofuran-4-yl)dibenzofuran-4-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 149342660
CID 160608292
CID 160608292
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 140708594
2-dibenzofuran-4-ylpyridine
CID 59500175
3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine
CID 154588250
2-dibenzofuran-4-yl-5-(2-methyl-1-benzofuran-3-yl)pyridine
CID 171576904
2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 142353452
2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine
CID 166564112
4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
CID 162500362
5,15-di(dibenzofuran-4-yl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 164528112

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 123749789) is 2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2ccc(-c3cccc4c3oc3ccccc34)nc2)OC1(C)C.
What is the InChIKey of 2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is JJIZVNSKXXFXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BNO3/c1-22(2)23(3,4)28-24(27-22)15-12-13-19(25-14-15)18-10-7-9-17-16-8-5-6-11-20(16)26-21(17)18/h5-14H,1-4H3.
What are the key properties of 2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-dibenzofuran-4-yl-5-(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 2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 123749789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).