triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane

C59H44N2Si — CID 176640932

About triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane

triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane (PubChem CID 176640932) has the molecular formula C59H44N2Si and a molecular weight of 809.10 g/mol. Its IUPAC name is triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane
• PubChem CID: 176640932
• Molecular Formula: C59H44N2Si
• Molecular Weight: 809.10 g/mol
• Exact Mass: 808.33
• IUPAC Name: triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane
• SMILES: c1ccc(-c2nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1
• InChI: InChI=1S/C59H44N2Si/c1-8-24-45(25-9-1)58-60-56(46-26-22-34-51(42-46)59(48-28-10-2-11-29-48,49-30-12-3-13-31-49)50-32-14-4-15-33-50)44-57(61-58)47-27-23-41-55(43-47)62(52-35-16-5-17-36-52,53-37-18-6-19-38-53)54-39-20-7-21-40-54/h1-44H
• InChIKey: PEIQYMKVCSUCIZ-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.10
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane?

The IUPAC name of triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane (CID 176640932) is triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane.

What is the SMILES notation for triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane?

The canonical SMILES for triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane is c1ccc(-c2nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.

What is the InChIKey of triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane?

The InChIKey is PEIQYMKVCSUCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N2Si/c1-8-24-45(25-9-1)58-60-56(46-26-22-34-51(42-46)59(48-28-10-2-11-29-48,49-30-12-3-13-31-49)50-32-14-4-15-33-50)44-57(61-58)47-27-23-41-55(43-47)62(52-35-16-5-17-36-52,53-37-18-6-19-38-53)54-39-20-7-21-40-54/h1-44H.

What are the key properties of triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane?

triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane has a molecular weight of 809.10 g/mol, XLogP of 11.24, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[2-phenyl-6-(3-tritylphenyl)pyrimidin-4-yl]phenyl]silane is sourced from PubChem (CID 176640932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).