3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine

C23H24BNO2 — CID 155691422

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

3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine (PubChem CID 155691422) has the molecular formula C23H24BNO2 and a molecular weight of 357.26 g/mol. Its IUPAC name is 3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
• PubChem CID: 155691422
• Molecular Formula: C23H24BNO2
• Molecular Weight: 357.26 g/mol
• Exact Mass: 357.19
• IUPAC Name: 3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
• SMILES: CC1(C)OB(c2cccc(-c3cccc(-c4cccnc4)c3)c2)OC1(C)C
• InChI: InChI=1S/C23H24BNO2/c1-22(2)23(3,4)27-24(26-22)21-12-6-10-19(15-21)17-8-5-9-18(14-17)20-11-7-13-25-16-20/h5-16H,1-4H3
• InChIKey: SEILCKWJGKGXGD-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 31.35 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.26
LogP ≤ 5	4.71
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 3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine?

The IUPAC name of 3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine (CID 155691422) is 3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine.

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

The canonical SMILES for 3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine is CC1(C)OB(c2cccc(-c3cccc(-c4cccnc4)c3)c2)OC1(C)C.

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

The InChIKey is SEILCKWJGKGXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BNO2/c1-22(2)23(3,4)27-24(26-22)21-12-6-10-19(15-21)17-8-5-9-18(14-17)20-11-7-13-25-16-20/h5-16H,1-4H3.

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

3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine has a molecular weight of 357.26 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine is sourced from PubChem (CID 155691422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).