2-[4-(4-bromophenyl)phenyl]pyridine;2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]pyridine;2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C60H62BBrN2O2 — CID 158224253

About 2-[4-(4-bromophenyl)phenyl]pyridine;2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]pyridine;2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-(4-bromophenyl)phenyl]pyridine;2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]pyridine;2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 158224253) has the molecular formula C60H62BBrN2O2 and a molecular weight of 933.88 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)phenyl]pyridine;2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]pyridine;2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-[4-(4-bromophenyl)phenyl]pyridine;2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]pyridine;2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 158224253
• Molecular Formula: C60H62BBrN2O2
• Molecular Weight: 933.88 g/mol
• Exact Mass: 932.41
• IUPAC Name: 2-[4-(4-bromophenyl)phenyl]pyridine;2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]pyridine;2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: Brc1ccc(-c2ccc(-c3ccccn3)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccccn4)cc3)cc2)cc1.CC(C)(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
• InChI: InChI=1S/C27H25N.C17H12BrN.C16H25BO2/c1-27(2,3)25-17-15-23(16-18-25)21-9-7-20(8-10-21)22-11-13-24(14-12-22)26-6-4-5-19-28-26;18-16-10-8-14(9-11-16)13-4-6-15(7-5-13)17-3-1-2-12-19-17;1-14(2,3)12-8-10-13(11-9-12)17-18-15(4,5)16(6,7)19-17/h4-19H,1-3H3;1-12H;8-11H,1-7H3
• InChIKey: GDPLMCSZKABOBY-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 44.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.88
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)phenyl]pyridine;2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]pyridine;2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-[4-(4-bromophenyl)phenyl]pyridine;2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]pyridine;2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 158224253) is 2-[4-(4-bromophenyl)phenyl]pyridine;2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]pyridine;2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2-[4-(4-bromophenyl)phenyl]pyridine;2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]pyridine;2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2-[4-(4-bromophenyl)phenyl]pyridine;2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]pyridine;2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is Brc1ccc(-c2ccc(-c3ccccn3)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccccn4)cc3)cc2)cc1.CC(C)(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.

What is the InChIKey of 2-[4-(4-bromophenyl)phenyl]pyridine;2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]pyridine;2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is GDPLMCSZKABOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N.C17H12BrN.C16H25BO2/c1-27(2,3)25-17-15-23(16-18-25)21-9-7-20(8-10-21)22-11-13-24(14-12-22)26-6-4-5-19-28-26;18-16-10-8-14(9-11-16)13-4-6-15(7-5-13)17-3-1-2-12-19-17;1-14(2,3)12-8-10-13(11-9-12)17-18-15(4,5)16(6,7)19-17/h4-19H,1-3H3;1-12H;8-11H,1-7H3.

What are the key properties of 2-[4-(4-bromophenyl)phenyl]pyridine;2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]pyridine;2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2-[4-(4-bromophenyl)phenyl]pyridine;2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]pyridine;2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 933.88 g/mol, XLogP of 15.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-bromophenyl)phenyl]pyridine;2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]pyridine;2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 158224253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).