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

C63H42N4SSi — CID 176722173

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

[3-[4-(2-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 176722173) has the molecular formula C63H42N4SSi and a molecular weight of 915.21 g/mol. Its IUPAC name is [3-[4-(2-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-(2-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 176722173
• Molecular Formula: C63H42N4SSi
• Molecular Weight: 915.21 g/mol
• Exact Mass: 914.29
• IUPAC Name: [3-[4-(2-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccccc4-c4cccc5sc6ccccc6c45)nc(-c4ccccc4-n4c5ccccc5c5ccccc54)n3)c2)cc1
• InChI: InChI=1S/C63H42N4SSi/c1-4-23-44(24-5-1)69(45-25-6-2-7-26-45,46-27-8-3-9-28-46)47-29-20-22-43(42-47)61-64-62(52-33-11-10-30-48(52)51-36-21-41-59-60(51)54-35-15-19-40-58(54)68-59)66-63(65-61)53-34-14-18-39-57(53)67-55-37-16-12-31-49(55)50-32-13-17-38-56(50)67/h1-42H
• InChIKey: WGGCMOSDCWDUOK-UHFFFAOYSA-N
• XLogP: 13.38
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.21
LogP ≤ 5	13.38
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-(2-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-(2-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 176722173) is [3-[4-(2-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[4-(2-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccccc4-c4cccc5sc6ccccc6c45)nc(-c4ccccc4-n4c5ccccc5c5ccccc54)n3)c2)cc1.

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

The InChIKey is WGGCMOSDCWDUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4SSi/c1-4-23-44(24-5-1)69(45-25-6-2-7-26-45,46-27-8-3-9-28-46)47-29-20-22-43(42-47)61-64-62(52-33-11-10-30-48(52)51-36-21-41-59-60(51)54-35-15-19-40-58(54)68-59)66-63(65-61)53-34-14-18-39-57(53)67-55-37-16-12-31-49(55)50-32-13-17-38-56(50)67/h1-42H.

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

[3-[4-(2-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 915.21 g/mol, XLogP of 13.38, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(2-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 176722173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).