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

C63H46N4Si2 — CID 162492117

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

[4-[4-carbazol-9-yl-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 162492117) has the molecular formula C63H46N4Si2 and a molecular weight of 915.26 g/mol. Its IUPAC name is [4-[4-carbazol-9-yl-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[4-carbazol-9-yl-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 162492117
• Molecular Formula: C63H46N4Si2
• Molecular Weight: 915.26 g/mol
• Exact Mass: 914.33
• IUPAC Name: [4-[4-carbazol-9-yl-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1
• InChI: InChI=1S/C63H46N4Si2/c1-7-23-49(24-8-1)68(50-25-9-2-10-26-50,51-27-11-3-12-28-51)55-43-39-47(40-44-55)61-64-62(66-63(65-61)67-59-37-21-19-35-57(59)58-36-20-22-38-60(58)67)48-41-45-56(46-42-48)69(52-29-13-4-14-30-52,53-31-15-5-16-32-53)54-33-17-6-18-34-54/h1-46H
• InChIKey: SFEWZAMOSNTNCT-UHFFFAOYSA-N
• XLogP: 9.06
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.26
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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

The IUPAC name of [4-[4-carbazol-9-yl-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 162492117) is [4-[4-carbazol-9-yl-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [4-[4-carbazol-9-yl-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.

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

The InChIKey is SFEWZAMOSNTNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N4Si2/c1-7-23-49(24-8-1)68(50-25-9-2-10-26-50,51-27-11-3-12-28-51)55-43-39-47(40-44-55)61-64-62(66-63(65-61)67-59-37-21-19-35-57(59)58-36-20-22-38-60(58)67)48-41-45-56(46-42-48)69(52-29-13-4-14-30-52,53-31-15-5-16-32-53)54-33-17-6-18-34-54/h1-46H.

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

[4-[4-carbazol-9-yl-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 915.26 g/mol, XLogP of 9.06, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-carbazol-9-yl-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 162492117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).