[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-pyridinyl]-trimethylsilane

C41H34N4Si — CID 176645518

About [5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-pyridinyl]-trimethylsilane

[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-pyridinyl]-trimethylsilane (PubChem CID 176645518) has the molecular formula C41H34N4Si and a molecular weight of 610.84 g/mol. Its IUPAC name is [5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-pyridinyl]-trimethylsilane.

Molecular Properties

• Compound Name: [5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-pyridinyl]-trimethylsilane
• PubChem CID: 176645518
• Molecular Formula: C41H34N4Si
• Molecular Weight: 610.84 g/mol
• Exact Mass: 610.26
• IUPAC Name: [5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-pyridinyl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)c2)cn1
• InChI: InChI=1S/C41H34N4Si/c1-46(2,3)38-24-23-37(28-42-38)35-21-11-19-33(26-35)31-17-10-18-32(25-31)34-20-12-22-36(27-34)41-44-39(29-13-6-4-7-14-29)43-40(45-41)30-15-8-5-9-16-30/h4-28H,1-3H3
• InChIKey: HZYSOIGRSUYMOK-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.84
LogP ≤ 5	9.81
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 [5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-pyridinyl]-trimethylsilane?

The IUPAC name of [5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-pyridinyl]-trimethylsilane (CID 176645518) is [5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-pyridinyl]-trimethylsilane.

What is the SMILES notation for [5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-pyridinyl]-trimethylsilane?

The canonical SMILES for [5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-pyridinyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)c2)cn1.

What is the InChIKey of [5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-pyridinyl]-trimethylsilane?

The InChIKey is HZYSOIGRSUYMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N4Si/c1-46(2,3)38-24-23-37(28-42-38)35-21-11-19-33(26-35)31-17-10-18-32(25-31)34-20-12-22-36(27-34)41-44-39(29-13-6-4-7-14-29)43-40(45-41)30-15-8-5-9-16-30/h4-28H,1-3H3.

What are the key properties of [5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-pyridinyl]-trimethylsilane?

[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-pyridinyl]-trimethylsilane has a molecular weight of 610.84 g/mol, XLogP of 9.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-pyridinyl]-trimethylsilane is sourced from PubChem (CID 176645518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).