[4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

C51H35N3OSi — CID 166569886

About [4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

[4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 166569886) has the molecular formula C51H35N3OSi and a molecular weight of 733.95 g/mol. Its IUPAC name is [4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 166569886
• Molecular Formula: C51H35N3OSi
• Molecular Weight: 733.95 g/mol
• Exact Mass: 733.25
• IUPAC Name: [4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
• InChI: InChI=1S/C51H35N3OSi/c1-5-16-36(17-6-1)37-28-30-38(31-29-37)49-52-50(54-51(53-49)45-25-15-27-47-48(45)44-24-13-14-26-46(44)55-47)39-32-34-43(35-33-39)56(40-18-7-2-8-19-40,41-20-9-3-10-21-41)42-22-11-4-12-23-42/h1-35H
• InChIKey: GRPBIEOCDWYTBL-UHFFFAOYSA-N
• XLogP: 9.82
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.95
LogP ≤ 5	9.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 [4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 166569886) is [4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc(-c2ccc(-c3nc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1.

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

The InChIKey is GRPBIEOCDWYTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3OSi/c1-5-16-36(17-6-1)37-28-30-38(31-29-37)49-52-50(54-51(53-49)45-25-15-27-47-48(45)44-24-13-14-26-46(44)55-47)39-32-34-43(35-33-39)56(40-18-7-2-8-19-40,41-20-9-3-10-21-41)42-22-11-4-12-23-42/h1-35H.

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

[4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 733.95 g/mol, XLogP of 9.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166569886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).