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

C75H53N5Si2 — CID 169281943

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

[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 169281943) has the molecular formula C75H53N5Si2 and a molecular weight of 1080.46 g/mol. Its IUPAC name is [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 169281943
• Molecular Formula: C75H53N5Si2
• Molecular Weight: 1080.46 g/mol
• Exact Mass: 1079.38
• IUPAC Name: [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)cc2)cc1
• InChI: InChI=1S/C75H53N5Si2/c1-7-27-57(28-8-1)81(58-29-9-2-10-30-58,59-31-11-3-12-32-59)63-49-46-54(47-50-63)73-76-74(55-26-25-39-64(52-55)82(60-33-13-4-14-34-60,61-35-15-5-16-36-61)62-37-17-6-18-38-62)78-75(77-73)80-71-45-24-21-42-67(71)68-53-56(48-51-72(68)80)79-69-43-22-19-40-65(69)66-41-20-23-44-70(66)79/h1-53H
• InChIKey: YFANVZOJXASXGK-UHFFFAOYSA-N
• XLogP: 12.15
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1080.46
LogP ≤ 5	12.15
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-(3-carbazol-9-ylcarbazol-9-yl)-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 169281943) is [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)cc2)cc1.

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

The InChIKey is YFANVZOJXASXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H53N5Si2/c1-7-27-57(28-8-1)81(58-29-9-2-10-30-58,59-31-11-3-12-32-59)63-49-46-54(47-50-63)73-76-74(55-26-25-39-64(52-55)82(60-33-13-4-14-34-60,61-35-15-5-16-36-61)62-37-17-6-18-38-62)78-75(77-73)80-71-45-24-21-42-67(71)68-53-56(48-51-72(68)80)79-69-43-22-19-40-65(69)66-41-20-23-44-70(66)79/h1-53H.

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

[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 1080.46 g/mol, XLogP of 12.15, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 169281943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).