[3-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

C55H37N3OSi — CID 168730376

About [3-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

[3-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 168730376) has the molecular formula C55H37N3OSi and a molecular weight of 784.01 g/mol. Its IUPAC name is [3-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 168730376
• Molecular Formula: C55H37N3OSi
• Molecular Weight: 784.01 g/mol
• Exact Mass: 783.27
• IUPAC Name: [3-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cccc5oc6cc7ccccc7cc6c45)cc3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1
• InChI: InChI=1S/C55H37N3OSi/c1-5-17-39(18-6-1)53-56-54(40-33-31-38(32-34-40)48-29-16-30-50-52(48)49-36-41-19-13-14-20-42(41)37-51(49)59-50)58-55(57-53)43-21-15-28-47(35-43)60(44-22-7-2-8-23-44,45-24-9-3-10-25-45)46-26-11-4-12-27-46/h1-37H
• InChIKey: ABFFVEPJUIXYQH-UHFFFAOYSA-N
• XLogP: 10.97
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.01
LogP ≤ 5	10.97
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 [3-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 168730376) is [3-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc(-c2nc(-c3ccc(-c4cccc5oc6cc7ccccc7cc6c45)cc3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.

What is the InChIKey of [3-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The InChIKey is ABFFVEPJUIXYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3OSi/c1-5-17-39(18-6-1)53-56-54(40-33-31-38(32-34-40)48-29-16-30-50-52(48)49-36-41-19-13-14-20-42(41)37-51(49)59-50)58-55(57-53)43-21-15-28-47(35-43)60(44-22-7-2-8-23-44,45-24-9-3-10-25-45)46-26-11-4-12-27-46/h1-37H.

What are the key properties of [3-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

[3-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 784.01 g/mol, XLogP of 10.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 168730376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).