triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane

C57H43N3Si2 — CID 155622091

About triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane

triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 155622091) has the molecular formula C57H43N3Si2 and a molecular weight of 826.16 g/mol. Its IUPAC name is triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
• PubChem CID: 155622091
• Molecular Formula: C57H43N3Si2
• Molecular Weight: 826.16 g/mol
• Exact Mass: 825.30
• IUPAC Name: triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
• SMILES: c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1
• InChI: InChI=1S/C57H43N3Si2/c1-8-24-44(25-9-1)55-58-56(45-26-22-40-53(42-45)61(47-28-10-2-11-29-47,48-30-12-3-13-31-48)49-32-14-4-15-33-49)60-57(59-55)46-27-23-41-54(43-46)62(50-34-16-5-17-35-50,51-36-18-6-19-37-51)52-38-20-7-21-39-52/h1-43H
• InChIKey: YZIDAMOKOLBRDB-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.16
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane?

The IUPAC name of triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane (CID 155622091) is triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane.

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

The canonical SMILES for triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane is c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.

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

The InChIKey is YZIDAMOKOLBRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N3Si2/c1-8-24-44(25-9-1)55-58-56(45-26-22-40-53(42-45)61(47-28-10-2-11-29-47,48-30-12-3-13-31-48)49-32-14-4-15-33-49)60-57(59-55)46-27-23-41-54(43-46)62(50-34-16-5-17-35-50,51-36-18-6-19-37-51)52-38-20-7-21-39-52/h1-43H.

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

triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane has a molecular weight of 826.16 g/mol, XLogP of 7.63, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane is sourced from PubChem (CID 155622091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).