dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane

C36H33BO3Si — CID 177089483

About dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane

dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane (PubChem CID 177089483) has the molecular formula C36H33BO3Si and a molecular weight of 552.56 g/mol. Its IUPAC name is dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane.

Molecular Properties

• Compound Name: dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
• PubChem CID: 177089483
• Molecular Formula: C36H33BO3Si
• Molecular Weight: 552.56 g/mol
• Exact Mass: 552.23
• IUPAC Name: dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
• SMILES: CC1(C)OB(c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc4oc5ccccc5c4c3)cc2)OC1(C)C
• InChI: InChI=1S/C36H33BO3Si/c1-35(2)36(3,4)40-37(39-35)26-19-21-29(22-20-26)41(27-13-7-5-8-14-27,28-15-9-6-10-16-28)30-23-24-34-32(25-30)31-17-11-12-18-33(31)38-34/h5-25H,1-4H3
• InChIKey: BISZNKZSNZJRMW-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 31.60 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.56
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane?

The IUPAC name of dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane (CID 177089483) is dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane.

What is the SMILES notation for dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane?

The canonical SMILES for dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane is CC1(C)OB(c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc4oc5ccccc5c4c3)cc2)OC1(C)C.

What is the InChIKey of dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane?

The InChIKey is BISZNKZSNZJRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33BO3Si/c1-35(2)36(3,4)40-37(39-35)26-19-21-29(22-20-26)41(27-13-7-5-8-14-27,28-15-9-6-10-16-28)30-23-24-34-32(25-30)31-17-11-12-18-33(31)38-34/h5-25H,1-4H3.

What are the key properties of dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane?

dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane has a molecular weight of 552.56 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane is sourced from PubChem (CID 177089483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).