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

C63H42N4SSi — CID 176722214

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

[4-[4-(4-carbazol-9-ylphenyl)-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 176722214) has the molecular formula C63H42N4SSi and a molecular weight of 915.21 g/mol. Its IUPAC name is [4-[4-(4-carbazol-9-ylphenyl)-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[4-(4-carbazol-9-ylphenyl)-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 176722214
• Molecular Formula: C63H42N4SSi
• Molecular Weight: 915.21 g/mol
• Exact Mass: 914.29
• IUPAC Name: [4-[4-(4-carbazol-9-ylphenyl)-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc1
• InChI: InChI=1S/C63H42N4SSi/c1-4-16-49(17-5-1)69(50-18-6-2-7-19-50,51-20-8-3-9-21-51)52-39-34-46(35-40-52)63-65-61(44-30-28-43(29-31-44)47-36-41-56-55-24-12-15-27-59(55)68-60(56)42-47)64-62(66-63)45-32-37-48(38-33-45)67-57-25-13-10-22-53(57)54-23-11-14-26-58(54)67/h1-42H
• InChIKey: QOPDJKQBQBQIJT-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 [4-[4-(4-carbazol-9-ylphenyl)-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[4-(4-carbazol-9-ylphenyl)-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 176722214) is [4-[4-(4-carbazol-9-ylphenyl)-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [4-[4-(4-carbazol-9-ylphenyl)-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc1.

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

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

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

[4-[4-(4-carbazol-9-ylphenyl)-6-(4-dibenzothiophen-3-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 [4-[4-(4-carbazol-9-ylphenyl)-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 176722214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).