4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane

C24H23BO3 — CID 168795820

IUPAC4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3oc4cc(-c5ccccc5)ccc4c3c2)OC1(C)C
InChIInChI=1S/C24H23BO3/c1-23(2)24(3,4)28-25(27-23)18-11-13-21-20(15-18)19-12-10-17(14-22(19)26-21)16-8-6-5-7-9-16/h5-15H,1-4H3
InChIKeyXUXYFNOQNUCJAJ-UHFFFAOYSA-N
MW370.26 g/mol
LogP5.55
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane (PubChem CID 168795820) has the molecular formula C24H23BO3 and a molecular weight of 370.26 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane
PubChem CID168795820
Molecular FormulaC24H23BO3
Molecular Weight370.26 g/mol
Exact Mass370.17
IUPAC Name4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3oc4cc(-c5ccccc5)ccc4c3c2)OC1(C)C
InChIInChI=1S/C24H23BO3/c1-23(2)24(3,4)28-25(27-23)18-11-13-21-20(15-18)19-12-10-17(14-22(19)26-21)16-8-6-5-7-9-16/h5-15H,1-4H3
InChIKeyXUXYFNOQNUCJAJ-UHFFFAOYSA-N
XLogP5.55
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.26
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[4-(8-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,2-dioxaborolane
CID 163974886
2-bromodibenzofuran;2-dibenzofuran-3-yl-4-(8-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 158135500
2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009424
2-(3-dibenzofuran-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140828348
2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane
CID 162009781
4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 163601505
2-[4-(4-deuteriodibenzofuran-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171449572
4,4,5,5-tetramethyl-2-[7-[4-[4-[4-[4-[4-(4-methyl-1-bicyclo[2.2.2]octanyl)phenyl]phenyl]phenyl]-1-bicyclo[2.2.2]octanyl]phenyl]dibenzofuran-3-yl]-1,3,2-dioxaborolane
CID 159639326
2-[9-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174110681
4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane
CID 156631285
2-(3,5-diphenyl-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177094722
4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane
CID 140853408

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane (CID 168795820) is 4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3oc4cc(-c5ccccc5)ccc4c3c2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane?
The InChIKey is XUXYFNOQNUCJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BO3/c1-23(2)24(3,4)28-25(27-23)18-11-13-21-20(15-18)19-12-10-17(14-22(19)26-21)16-8-6-5-7-9-16/h5-15H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane has a molecular weight of 370.26 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 168795820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).