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

C84H58N8Si2 — CID 157212268

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

[3-[4-carbazol-9-yl-6-[2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 157212268) has the molecular formula C84H58N8Si2 and a molecular weight of 1235.62 g/mol. Its IUPAC name is [3-[4-carbazol-9-yl-6-[2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-carbazol-9-yl-6-[2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 157212268
• Molecular Formula: C84H58N8Si2
• Molecular Weight: 1235.62 g/mol
• Exact Mass: 1234.43
• IUPAC Name: [3-[4-carbazol-9-yl-6-[2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccccc4-c4nc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)nc(-n5c6ccccc6c6ccccc65)n4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
• InChI: InChI=1S/C84H58N8Si2/c1-7-33-61(34-8-1)93(62-35-9-2-10-36-62,63-37-11-3-12-38-63)67-45-29-31-59(57-67)79-85-81(89-83(87-79)91-75-53-25-21-47-69(75)70-48-22-26-54-76(70)91)73-51-19-20-52-74(73)82-86-80(88-84(90-82)92-77-55-27-23-49-71(77)72-50-24-28-56-78(72)92)60-32-30-46-68(58-60)94(64-39-13-4-14-40-64,65-41-15-5-16-42-65)66-43-17-6-18-44-66/h1-58H
• InChIKey: ZHGYPKFKKJNAFL-UHFFFAOYSA-N
• XLogP: 13.67
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1235.62
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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

The IUPAC name of [3-[4-carbazol-9-yl-6-[2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 157212268) is [3-[4-carbazol-9-yl-6-[2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[4-carbazol-9-yl-6-[2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4ccccc4-c4nc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)nc(-n5c6ccccc6c6ccccc65)n4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.

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

The InChIKey is ZHGYPKFKKJNAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H58N8Si2/c1-7-33-61(34-8-1)93(62-35-9-2-10-36-62,63-37-11-3-12-38-63)67-45-29-31-59(57-67)79-85-81(89-83(87-79)91-75-53-25-21-47-69(75)70-48-22-26-54-76(70)91)73-51-19-20-52-74(73)82-86-80(88-84(90-82)92-77-55-27-23-49-71(77)72-50-24-28-56-78(72)92)60-32-30-46-68(58-60)94(64-39-13-4-14-40-64,65-41-15-5-16-42-65)66-43-17-6-18-44-66/h1-58H.

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

[3-[4-carbazol-9-yl-6-[2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 1235.62 g/mol, XLogP of 13.67, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-carbazol-9-yl-6-[2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 157212268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).