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

C36H31N3Si — CID 176645624

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

[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-trimethylsilane (PubChem CID 176645624) has the molecular formula C36H31N3Si and a molecular weight of 533.75 g/mol. Its IUPAC name is [2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
• PubChem CID: 176645624
• Molecular Formula: C36H31N3Si
• Molecular Weight: 533.75 g/mol
• Exact Mass: 533.23
• IUPAC Name: [2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccccc1-c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C36H31N3Si/c1-40(2,3)33-20-11-10-19-32(33)27-23-21-26(22-24-27)30-17-12-18-31(25-30)36-38-34(28-13-6-4-7-14-28)37-35(39-36)29-15-8-5-9-16-29/h4-25H,1-3H3
• InChIKey: JIKULBMEEKPYAP-UHFFFAOYSA-N
• XLogP: 8.75
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.75
LogP ≤ 5	8.75
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 [2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-trimethylsilane?

The IUPAC name of [2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-trimethylsilane (CID 176645624) is [2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-trimethylsilane.

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

The canonical SMILES for [2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccccc1-c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.

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

The InChIKey is JIKULBMEEKPYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N3Si/c1-40(2,3)33-20-11-10-19-32(33)27-23-21-26(22-24-27)30-17-12-18-31(25-30)36-38-34(28-13-6-4-7-14-28)37-35(39-36)29-15-8-5-9-16-29/h4-25H,1-3H3.

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

[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-trimethylsilane has a molecular weight of 533.75 g/mol, XLogP of 8.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 176645624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).