9-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-7-triphenylsilylcarbazole-2-carbonitrile

C64H45N5Si2 — CID 153495104

About 9-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-7-triphenylsilylcarbazole-2-carbonitrile

9-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-7-triphenylsilylcarbazole-2-carbonitrile (PubChem CID 153495104) has the molecular formula C64H45N5Si2 and a molecular weight of 940.27 g/mol. Its IUPAC name is 9-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-7-triphenylsilylcarbazole-2-carbonitrile.

Molecular Properties

• Compound Name: 9-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-7-triphenylsilylcarbazole-2-carbonitrile
• PubChem CID: 153495104
• Molecular Formula: C64H45N5Si2
• Molecular Weight: 940.27 g/mol
• Exact Mass: 939.32
• IUPAC Name: 9-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-7-triphenylsilylcarbazole-2-carbonitrile
• SMILES: N#Cc1ccc2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3n(-c3nc(-c4ccccc4)nc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)n3)c2c1
• InChI: InChI=1S/C64H45N5Si2/c65-46-47-39-41-58-59-42-40-57(71(53-32-16-5-17-33-53,54-34-18-6-19-35-54)55-36-20-7-21-37-55)45-61(59)69(60(58)43-47)64-67-62(48-23-8-1-9-24-48)66-63(68-64)49-25-22-38-56(44-49)70(50-26-10-2-11-27-50,51-28-12-3-13-29-51)52-30-14-4-15-31-52/h1-45H
• InChIKey: WJBDTMFYPUJTFS-UHFFFAOYSA-N
• XLogP: 8.93
• TPSA: 67.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.27
LogP ≤ 5	8.93
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 9-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-7-triphenylsilylcarbazole-2-carbonitrile?

The IUPAC name of 9-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-7-triphenylsilylcarbazole-2-carbonitrile (CID 153495104) is 9-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-7-triphenylsilylcarbazole-2-carbonitrile.

What is the SMILES notation for 9-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-7-triphenylsilylcarbazole-2-carbonitrile?

The canonical SMILES for 9-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-7-triphenylsilylcarbazole-2-carbonitrile is N#Cc1ccc2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3n(-c3nc(-c4ccccc4)nc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)n3)c2c1.

What is the InChIKey of 9-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-7-triphenylsilylcarbazole-2-carbonitrile?

The InChIKey is WJBDTMFYPUJTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N5Si2/c65-46-47-39-41-58-59-42-40-57(71(53-32-16-5-17-33-53,54-34-18-6-19-35-54)55-36-20-7-21-37-55)45-61(59)69(60(58)43-47)64-67-62(48-23-8-1-9-24-48)66-63(68-64)49-25-22-38-56(44-49)70(50-26-10-2-11-27-50,51-28-12-3-13-29-51)52-30-14-4-15-31-52/h1-45H.

What are the key properties of 9-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-7-triphenylsilylcarbazole-2-carbonitrile?

9-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-7-triphenylsilylcarbazole-2-carbonitrile has a molecular weight of 940.27 g/mol, XLogP of 8.93, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-7-triphenylsilylcarbazole-2-carbonitrile is sourced from PubChem (CID 153495104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).