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

C51H36N4Si — CID 166016230

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

[3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 166016230) has the molecular formula C51H36N4Si and a molecular weight of 732.96 g/mol. Its IUPAC name is [3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 166016230
• Molecular Formula: C51H36N4Si
• Molecular Weight: 732.96 g/mol
• Exact Mass: 732.27
• IUPAC Name: [3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(-c2cccc(-c3nc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
• InChI: InChI=1S/C51H36N4Si/c1-5-19-37(20-6-1)38-21-17-22-39(35-38)49-52-50(54-51(53-49)55-47-33-15-13-31-45(47)46-32-14-16-34-48(46)55)40-23-18-30-44(36-40)56(41-24-7-2-8-25-41,42-26-9-3-10-27-42)43-28-11-4-12-29-43/h1-36H
• InChIKey: LEPCTBBCOHXWMM-UHFFFAOYSA-N
• XLogP: 9.35
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.96
LogP ≤ 5	9.35
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 [3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 166016230) is [3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc(-c2cccc(-c3nc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.

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

The InChIKey is LEPCTBBCOHXWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4Si/c1-5-19-37(20-6-1)38-21-17-22-39(35-38)49-52-50(54-51(53-49)55-47-33-15-13-31-45(47)46-32-14-16-34-48(46)55)40-23-18-30-44(36-40)56(41-24-7-2-8-25-41,42-26-9-3-10-27-42)43-28-11-4-12-29-43/h1-36H.

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

[3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 732.96 g/mol, XLogP of 9.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166016230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).