[4-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane

C50H41NSi — CID 176645644

About [4-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane

[4-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane (PubChem CID 176645644) has the molecular formula C50H41NSi and a molecular weight of 683.97 g/mol. Its IUPAC name is [4-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
• PubChem CID: 176645644
• Molecular Formula: C50H41NSi
• Molecular Weight: 683.97 g/mol
• Exact Mass: 683.30
• IUPAC Name: [4-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccc(-c2ccc(-c3ccc(-c4cccc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)c5)c4)cc3)cc2)cc1
• InChI: InChI=1S/C50H41NSi/c1-52(2,3)48-30-28-40(29-31-48)39-22-20-37(21-23-39)38-24-26-41(27-25-38)43-16-10-17-44(32-43)45-18-11-19-46(33-45)50-35-47(36-12-6-4-7-13-36)34-49(51-50)42-14-8-5-9-15-42/h4-35H,1-3H3
• InChIKey: ARVLLGBGEGCXIM-UHFFFAOYSA-N
• XLogP: 13.30
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.97
LogP ≤ 5	13.30
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-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?

The IUPAC name of [4-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane (CID 176645644) is [4-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane.

What is the SMILES notation for [4-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?

The canonical SMILES for [4-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2ccc(-c3ccc(-c4cccc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)c5)c4)cc3)cc2)cc1.

What is the InChIKey of [4-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?

The InChIKey is ARVLLGBGEGCXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41NSi/c1-52(2,3)48-30-28-40(29-31-48)39-22-20-37(21-23-39)38-24-26-41(27-25-38)43-16-10-17-44(32-43)45-18-11-19-46(33-45)50-35-47(36-12-6-4-7-13-36)34-49(51-50)42-14-8-5-9-15-42/h4-35H,1-3H3.

What are the key properties of [4-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?

[4-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane has a molecular weight of 683.97 g/mol, XLogP of 13.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 176645644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).