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

C23H22BNO3 — CID 90224396

IUPAC5-dibenzofuran-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(-c3ccc4oc5ccccc5c4c3)cn2)OC1(C)C
InChIInChI=1S/C23H22BNO3/c1-22(2)23(3,4)28-24(27-22)21-12-10-16(14-25-21)15-9-11-20-18(13-15)17-7-5-6-8-19(17)26-20/h5-14H,1-4H3
InChIKeyDJZCFTBRXXDDQI-UHFFFAOYSA-N
MW371.25 g/mol
LogP4.95
Rot. Bonds2

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

5-dibenzofuran-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 90224396) has the molecular formula C23H22BNO3 and a molecular weight of 371.25 g/mol. Its IUPAC name is 5-dibenzofuran-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name5-dibenzofuran-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID90224396
Molecular FormulaC23H22BNO3
Molecular Weight371.25 g/mol
Exact Mass371.17
IUPAC Name5-dibenzofuran-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(-c3ccc4oc5ccccc5c4c3)cn2)OC1(C)C
InChIInChI=1S/C23H22BNO3/c1-22(2)23(3,4)28-24(27-22)21-12-10-16(14-25-21)15-9-11-20-18(13-15)17-7-5-6-8-19(17)26-20/h5-14H,1-4H3
InChIKeyDJZCFTBRXXDDQI-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'}

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Related Compounds

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 142598773
2-(3-dibenzofuran-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140828348
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-dibenzofuran-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 169262165
4,4,5,5-tetramethyl-2-[4-(8-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,2-dioxaborolane
CID 163974886
2-[4-(4-deuteriodibenzofuran-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171449572
CID 160608292
CID 160608292
4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane
CID 156631285
4,4,5,5-tetramethyl-2-(8-phenanthren-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane
CID 140946516
4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 163601505
2-(10-bromoanthracen-9-yl)dibenzofuran;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4,4,5,5-tetramethyl-2-(4-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane
CID 167675442
4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane
CID 168795820

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 5-dibenzofuran-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 90224396) is 5-dibenzofuran-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 5-dibenzofuran-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 5-dibenzofuran-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2ccc(-c3ccc4oc5ccccc5c4c3)cn2)OC1(C)C.
What is the InChIKey of 5-dibenzofuran-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is DJZCFTBRXXDDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BNO3/c1-22(2)23(3,4)28-24(27-22)21-12-10-16(14-25-21)15-9-11-20-18(13-15)17-7-5-6-8-19(17)26-20/h5-14H,1-4H3.
What are the key properties of 5-dibenzofuran-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
5-dibenzofuran-2-yl-2-(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 5-dibenzofuran-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 90224396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).