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

C75H53N5Si2 — CID 171751830

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

[3-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 171751830) has the molecular formula C75H53N5Si2 and a molecular weight of 1080.46 g/mol. Its IUPAC name is [3-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 171751830
• Molecular Formula: C75H53N5Si2
• Molecular Weight: 1080.46 g/mol
• Exact Mass: 1079.38
• IUPAC Name: [3-[4-(4-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(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)n3)c2)cc1
• InChI: InChI=1S/C75H53N5Si2/c1-7-30-56(31-8-1)81(57-32-9-2-10-33-57,58-34-11-3-12-35-58)62-42-25-28-54(52-62)73-76-74(55-29-26-43-63(53-55)82(59-36-13-4-14-37-59,60-38-15-5-16-39-60)61-40-17-6-18-41-61)78-75(77-73)80-69-49-24-21-46-66(69)72-70(50-27-51-71(72)80)79-67-47-22-19-44-64(67)65-45-20-23-48-68(65)79/h1-53H
• InChIKey: IFYMMMPFOKKNAO-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-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 171751830) is [3-[4-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[4-(4-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(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)n3)c2)cc1.

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

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

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

[3-[4-(4-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-(4-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 171751830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).