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

C61H45NSi — CID 155787405

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

2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine (PubChem CID 155787405) has the molecular formula C61H45NSi and a molecular weight of 820.12 g/mol. Its IUPAC name is 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine.

Molecular Properties

• Compound Name: 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine
• PubChem CID: 155787405
• Molecular Formula: C61H45NSi
• Molecular Weight: 820.12 g/mol
• Exact Mass: 819.33
• IUPAC Name: 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine
• SMILES: C[Si]1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5ccc(-c6cc(-c7cccc(-c8ccccc8)c7)cc(-c7cccc(-c8ccccc8)c7)n6)cc5)c4)c3)ccc21
• InChI: InChI=1S/C61H45NSi/c1-63(2)60-28-10-9-27-56(60)57-39-53(33-34-61(57)63)51-24-13-23-50(37-51)49-22-11-20-47(35-49)44-29-31-45(32-30-44)58-40-55(52-25-12-19-46(36-52)42-15-5-3-6-16-42)41-59(62-58)54-26-14-21-48(38-54)43-17-7-4-8-18-43/h3-41H,1-2H3
• InChIKey: CMGRWZDXUMFEAN-UHFFFAOYSA-N
• XLogP: 15.22
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.12
LogP ≤ 5	15.22
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 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine?

The IUPAC name of 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine (CID 155787405) is 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine.

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

The canonical SMILES for 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine is C[Si]1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5ccc(-c6cc(-c7cccc(-c8ccccc8)c7)cc(-c7cccc(-c8ccccc8)c7)n6)cc5)c4)c3)ccc21.

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

The InChIKey is CMGRWZDXUMFEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45NSi/c1-63(2)60-28-10-9-27-56(60)57-39-53(33-34-61(57)63)51-24-13-23-50(37-51)49-22-11-20-47(35-49)44-29-31-45(32-30-44)58-40-55(52-25-12-19-46(36-52)42-15-5-3-6-16-42)41-59(62-58)54-26-14-21-48(38-54)43-17-7-4-8-18-43/h3-41H,1-2H3.

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

2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine has a molecular weight of 820.12 g/mol, XLogP of 15.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine is sourced from PubChem (CID 155787405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).