[4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane

C58H51N3Si — CID 165148525

About [4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane

[4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane (PubChem CID 165148525) has the molecular formula C58H51N3Si and a molecular weight of 818.15 g/mol. Its IUPAC name is [4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane
• PubChem CID: 165148525
• Molecular Formula: C58H51N3Si
• Molecular Weight: 818.15 g/mol
• Exact Mass: 817.39
• IUPAC Name: [4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccc(-c2ccnc(-c3ccc(-c4ccccc4-c4cc(CCc5ccc(-c6ccccn6)cc5)cc(CCc5ccc(-c6ccccn6)cc5)c4)cc3)c2)cc1
• InChI: InChI=1S/C58H51N3Si/c1-62(2,3)53-32-30-46(31-33-53)51-34-37-61-58(41-51)50-28-26-47(27-29-50)54-10-4-5-11-55(54)52-39-44(16-14-42-18-22-48(23-19-42)56-12-6-8-35-59-56)38-45(40-52)17-15-43-20-24-49(25-21-43)57-13-7-9-36-60-57/h4-13,18-41H,14-17H2,1-3H3
• InChIKey: OLNNQNOTKIKHHF-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.15
LogP ≤ 5	13.99
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 [4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane?

The IUPAC name of [4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane (CID 165148525) is [4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane.

What is the SMILES notation for [4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane?

The canonical SMILES for [4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2ccnc(-c3ccc(-c4ccccc4-c4cc(CCc5ccc(-c6ccccn6)cc5)cc(CCc5ccc(-c6ccccn6)cc5)c4)cc3)c2)cc1.

What is the InChIKey of [4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane?

The InChIKey is OLNNQNOTKIKHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H51N3Si/c1-62(2,3)53-32-30-46(31-33-53)51-34-37-61-58(41-51)50-28-26-47(27-29-50)54-10-4-5-11-55(54)52-39-44(16-14-42-18-22-48(23-19-42)56-12-6-8-35-59-56)38-45(40-52)17-15-43-20-24-49(25-21-43)57-13-7-9-36-60-57/h4-13,18-41H,14-17H2,1-3H3.

What are the key properties of [4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane?

[4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane has a molecular weight of 818.15 g/mol, XLogP of 13.99, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane is sourced from PubChem (CID 165148525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).