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

C63H42N4OSi — CID 176722200

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

[4-[4-(4-carbazol-9-ylphenyl)-6-(3-dibenzofuran-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 176722200) has the molecular formula C63H42N4OSi and a molecular weight of 899.14 g/mol. Its IUPAC name is [4-[4-(4-carbazol-9-ylphenyl)-6-(3-dibenzofuran-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[4-(4-carbazol-9-ylphenyl)-6-(3-dibenzofuran-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 176722200
• Molecular Formula: C63H42N4OSi
• Molecular Weight: 899.14 g/mol
• Exact Mass: 898.31
• IUPAC Name: [4-[4-(4-carbazol-9-ylphenyl)-6-(3-dibenzofuran-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)n3)cc2)cc1
• InChI: InChI=1S/C63H42N4OSi/c1-4-19-49(20-5-1)69(50-21-6-2-7-22-50,51-23-8-3-9-24-51)52-38-33-44(34-39-52)62-64-61(43-31-36-48(37-32-43)67-57-28-13-10-25-53(57)54-26-11-14-29-58(54)67)65-63(66-62)47-18-16-17-45(41-47)46-35-40-56-55-27-12-15-30-59(55)68-60(56)42-46/h1-42H
• InChIKey: WFUZEJXPSOCFEV-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-(4-carbazol-9-ylphenyl)-6-(3-dibenzofuran-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[4-(4-carbazol-9-ylphenyl)-6-(3-dibenzofuran-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 176722200) is [4-[4-(4-carbazol-9-ylphenyl)-6-(3-dibenzofuran-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [4-[4-(4-carbazol-9-ylphenyl)-6-(3-dibenzofuran-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)n3)cc2)cc1.

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

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

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

[4-[4-(4-carbazol-9-ylphenyl)-6-(3-dibenzofuran-3-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-(4-carbazol-9-ylphenyl)-6-(3-dibenzofuran-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 176722200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).