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

C54H41N3OSi — CID 176645393

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

[4-[4-dibenzofuran-3-yl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane (PubChem CID 176645393) has the molecular formula C54H41N3OSi and a molecular weight of 776.03 g/mol. Its IUPAC name is [4-[4-dibenzofuran-3-yl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-[4-dibenzofuran-3-yl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
• PubChem CID: 176645393
• Molecular Formula: C54H41N3OSi
• Molecular Weight: 776.03 g/mol
• Exact Mass: 775.30
• IUPAC Name: [4-[4-dibenzofuran-3-yl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
• InChI: InChI=1S/C54H41N3OSi/c1-59(2,3)47-28-25-37(26-29-47)52-55-53(57-54(56-52)46-27-30-49-48-23-7-8-24-50(48)58-51(49)35-46)45-22-12-21-44(34-45)43-20-11-19-42(33-43)41-18-10-17-40(32-41)39-16-9-15-38(31-39)36-13-5-4-6-14-36/h4-35H,1-3H3
• InChIKey: JGJVDUXLIDCBBD-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.03
LogP ≤ 5	13.99
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 [4-[4-dibenzofuran-3-yl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?

The IUPAC name of [4-[4-dibenzofuran-3-yl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane (CID 176645393) is [4-[4-dibenzofuran-3-yl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane.

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

The canonical SMILES for [4-[4-dibenzofuran-3-yl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.

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

The InChIKey is JGJVDUXLIDCBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N3OSi/c1-59(2,3)47-28-25-37(26-29-47)52-55-53(57-54(56-52)46-27-30-49-48-23-7-8-24-50(48)58-51(49)35-46)45-22-12-21-44(34-45)43-20-11-19-42(33-43)41-18-10-17-40(32-41)39-16-9-15-38(31-39)36-13-5-4-6-14-36/h4-35H,1-3H3.

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

[4-[4-dibenzofuran-3-yl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane has a molecular weight of 776.03 g/mol, XLogP of 13.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-dibenzofuran-3-yl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 176645393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).