2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C35H32BNO2Si — CID 169262163

About 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 169262163) has the molecular formula C35H32BNO2Si and a molecular weight of 537.54 g/mol. Its IUPAC name is 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 169262163
• Molecular Formula: C35H32BNO2Si
• Molecular Weight: 537.54 g/mol
• Exact Mass: 537.23
• IUPAC Name: 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: CC1(C)OB(c2cccnc2-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)OC1(C)C
• InChI: InChI=1S/C35H32BNO2Si/c1-34(2)35(3,4)39-36(38-34)30-19-13-23-37-33(30)25-21-22-29-28-18-11-12-20-31(28)40(32(29)24-25,26-14-7-5-8-15-26)27-16-9-6-10-17-27/h5-24H,1-4H3
• InChIKey: JHYIIXTVEJGAKJ-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 31.35 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.54
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The IUPAC name of 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 169262163) is 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the SMILES notation for 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES for 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2cccnc2-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)OC1(C)C.

What is the InChIKey of 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is JHYIIXTVEJGAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32BNO2Si/c1-34(2)35(3,4)39-36(38-34)30-19-13-23-37-33(30)25-21-22-29-28-18-11-12-20-31(28)40(32(29)24-25,26-14-7-5-8-15-26)27-16-9-6-10-17-27/h5-24H,1-4H3.

What are the key properties of 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 537.54 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 169262163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).