4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine

C43H33NSi — CID 155787420

About 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine

4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine (PubChem CID 155787420) has the molecular formula C43H33NSi and a molecular weight of 591.83 g/mol. Its IUPAC name is 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine.

Molecular Properties

• Compound Name: 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
• PubChem CID: 155787420
• Molecular Formula: C43H33NSi
• Molecular Weight: 591.83 g/mol
• Exact Mass: 591.24
• IUPAC Name: 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
• SMILES: C[Si]1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc21
• InChI: InChI=1S/C43H33NSi/c1-45(2)42-20-12-11-19-38(42)39-26-25-34(29-43(39)45)30-21-23-31(24-22-30)36-17-9-10-18-37(36)35-27-40(32-13-5-3-6-14-32)44-41(28-35)33-15-7-4-8-16-33/h3-29H,1-2H3
• InChIKey: GDZWVAGMYIYWDW-UHFFFAOYSA-N
• XLogP: 10.22
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.83
LogP ≤ 5	10.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine?

The IUPAC name of 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine (CID 155787420) is 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine.

What is the SMILES notation for 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine?

The canonical SMILES for 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine is C[Si]1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc21.

What is the InChIKey of 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine?

The InChIKey is GDZWVAGMYIYWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33NSi/c1-45(2)42-20-12-11-19-38(42)39-26-25-34(29-43(39)45)30-21-23-31(24-22-30)36-17-9-10-18-37(36)35-27-40(32-13-5-3-6-14-32)44-41(28-35)33-15-7-4-8-16-33/h3-29H,1-2H3.

What are the key properties of 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine?

4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine has a molecular weight of 591.83 g/mol, XLogP of 10.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 155787420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).