[4-[4-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

C63H42N4OSi — CID 176722269

About [4-[4-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

[4-[4-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 176722269) has the molecular formula C63H42N4OSi and a molecular weight of 899.14 g/mol. Its IUPAC name is [4-[4-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[4-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 176722269
• Molecular Formula: C63H42N4OSi
• Molecular Weight: 899.14 g/mol
• Exact Mass: 898.31
• IUPAC Name: [4-[4-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)cc2)cc1
• InChI: InChI=1S/C63H42N4OSi/c1-4-23-48(24-5-1)69(49-25-6-2-7-26-49,50-27-8-3-9-28-50)51-39-37-43(38-40-51)61-64-62(45-20-16-19-44(41-45)52-32-18-36-59-60(52)55-31-12-15-35-58(55)68-59)66-63(65-61)46-21-17-22-47(42-46)67-56-33-13-10-29-53(56)54-30-11-14-34-57(54)67/h1-42H
• InChIKey: VHEOXLJTUUIULF-UHFFFAOYSA-N
• XLogP: 12.91
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.14
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[4-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 176722269) is [4-[4-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [4-[4-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The canonical SMILES for [4-[4-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)cc2)cc1.

What is the InChIKey of [4-[4-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The InChIKey is VHEOXLJTUUIULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4OSi/c1-4-23-48(24-5-1)69(49-25-6-2-7-26-49,50-27-8-3-9-28-50)51-39-37-43(38-40-51)61-64-62(45-20-16-19-44(41-45)52-32-18-36-59-60(52)55-31-12-15-35-58(55)68-59)66-63(65-61)46-21-17-22-47(42-46)67-56-33-13-10-29-53(56)54-30-11-14-34-57(54)67/h1-42H.

What are the key properties of [4-[4-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

[4-[4-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 899.14 g/mol, XLogP of 12.91, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 176722269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).