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

C59H44N4Si — CID 158752856

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

[3-[2-(3,6-dimethylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane (PubChem CID 158752856) has the molecular formula C59H44N4Si and a molecular weight of 837.12 g/mol. Its IUPAC name is [3-[2-(3,6-dimethylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[2-(3,6-dimethylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane
• PubChem CID: 158752856
• Molecular Formula: C59H44N4Si
• Molecular Weight: 837.12 g/mol
• Exact Mass: 836.33
• IUPAC Name: [3-[2-(3,6-dimethylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane
• SMILES: Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
• InChI: InChI=1S/C59H44N4Si/c1-41-34-36-53-51(38-41)52-39-42(2)35-37-54(52)63(53)55-33-19-32-50(59-61-57(43-20-8-3-9-21-43)60-58(62-59)44-22-10-4-11-23-44)56(55)45-24-18-31-49(40-45)64(46-25-12-5-13-26-46,47-27-14-6-15-28-47)48-29-16-7-17-30-48/h3-40H,1-2H3
• InChIKey: BZQWMSCXDLSWQY-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.12
LogP ≤ 5	11.63
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-[2-(3,6-dimethylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane?

The IUPAC name of [3-[2-(3,6-dimethylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane (CID 158752856) is [3-[2-(3,6-dimethylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[2-(3,6-dimethylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.

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

The InChIKey is BZQWMSCXDLSWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N4Si/c1-41-34-36-53-51(38-41)52-39-42(2)35-37-54(52)63(53)55-33-19-32-50(59-61-57(43-20-8-3-9-21-43)60-58(62-59)44-22-10-4-11-23-44)56(55)45-24-18-31-49(40-45)64(46-25-12-5-13-26-46,47-27-14-6-15-28-47)48-29-16-7-17-30-48/h3-40H,1-2H3.

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

[3-[2-(3,6-dimethylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane has a molecular weight of 837.12 g/mol, XLogP of 11.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-(3,6-dimethylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 158752856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).