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

C75H53N5Si2 — CID 162492124

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

[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 162492124) 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-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 162492124
• Molecular Formula: C75H53N5Si2
• Molecular Weight: 1080.46 g/mol
• Exact Mass: 1079.38
• IUPAC Name: [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c2)cc1
• InChI: InChI=1S/C75H53N5Si2/c1-7-29-57(30-8-1)81(58-31-9-2-10-32-58,59-33-11-3-12-34-59)63-41-25-27-54(51-63)73-76-74(55-28-26-42-64(52-55)82(60-35-13-4-14-36-60,61-37-15-5-16-38-61)62-39-17-6-18-40-62)78-75(77-73)80-71-48-24-21-45-67(71)68-53-56(49-50-72(68)80)79-69-46-22-19-43-65(69)66-44-20-23-47-70(66)79/h1-53H
• InChIKey: WPUREFGXTXDFIX-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-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 162492124) is [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c2)cc1.

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

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

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

[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-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-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 162492124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).