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

C63H42N4OSi — CID 176722114

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

[3-[4-(4-carbazol-9-ylphenyl)-6-(2-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 176722114) has the molecular formula C63H42N4OSi and a molecular weight of 899.14 g/mol. Its IUPAC name is [3-[4-(4-carbazol-9-ylphenyl)-6-(2-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-(4-carbazol-9-ylphenyl)-6-(2-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 176722114
• Molecular Formula: C63H42N4OSi
• Molecular Weight: 899.14 g/mol
• Exact Mass: 898.31
• IUPAC Name: [3-[4-(4-carbazol-9-ylphenyl)-6-(2-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccccc4-c4cccc5c4oc4ccccc45)n3)c2)cc1
• InChI: InChI=1S/C63H42N4OSi/c1-4-21-46(22-5-1)69(47-23-6-2-7-24-47,48-25-8-3-9-26-48)49-27-18-20-44(42-49)62-64-61(43-38-40-45(41-39-43)67-57-35-15-12-29-51(57)52-30-13-16-36-58(52)67)65-63(66-62)56-32-11-10-28-50(56)54-33-19-34-55-53-31-14-17-37-59(53)68-60(54)55/h1-42H
• InChIKey: GIJXDCSVZKAGNW-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 [3-[4-(4-carbazol-9-ylphenyl)-6-(2-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-(4-carbazol-9-ylphenyl)-6-(2-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 176722114) is [3-[4-(4-carbazol-9-ylphenyl)-6-(2-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[4-(4-carbazol-9-ylphenyl)-6-(2-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccccc4-c4cccc5c4oc4ccccc45)n3)c2)cc1.

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

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

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

[3-[4-(4-carbazol-9-ylphenyl)-6-(2-dibenzofuran-4-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 [3-[4-(4-carbazol-9-ylphenyl)-6-(2-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 176722114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).