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

C45H32N4Si — CID 164843236

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

[3-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-triphenylsilane (PubChem CID 164843236) has the molecular formula C45H32N4Si and a molecular weight of 665.92 g/mol. Its IUPAC name is [3-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-triphenylsilane
• PubChem CID: 164843236
• Molecular Formula: C45H32N4Si
• Molecular Weight: 665.92 g/mol
• Exact Mass: 665.30
• IUPAC Name: [3-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-triphenylsilane
• SMILES: [2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3[2H])nc(-n3c4ccccc4c4ccccc43)n2)c([2H])c1[2H]
• InChI: InChI=1S/C45H32N4Si/c1-5-18-33(19-6-1)43-46-44(48-45(47-43)49-41-30-15-13-28-39(41)40-29-14-16-31-42(40)49)34-20-17-27-38(32-34)50(35-21-7-2-8-22-35,36-23-9-3-10-24-36)37-25-11-4-12-26-37/h1-32H/i1D,5D,6D,17D,18D,19D,20D,27D,32D
• InChIKey: RJBADEIGCDDRKG-XGMXSCDWSA-N
• XLogP: 7.68
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.92
LogP ≤ 5	7.68
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-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-triphenylsilane?

The IUPAC name of [3-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-triphenylsilane (CID 164843236) is [3-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-triphenylsilane.

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

The canonical SMILES for [3-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-triphenylsilane is [2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3[2H])nc(-n3c4ccccc4c4ccccc43)n2)c([2H])c1[2H].

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

The InChIKey is RJBADEIGCDDRKG-XGMXSCDWSA-N. The full InChI is InChI=1S/C45H32N4Si/c1-5-18-33(19-6-1)43-46-44(48-45(47-43)49-41-30-15-13-28-39(41)40-29-14-16-31-42(40)49)34-20-17-27-38(32-34)50(35-21-7-2-8-22-35,36-23-9-3-10-24-36)37-25-11-4-12-26-37/h1-32H/i1D,5D,6D,17D,18D,19D,20D,27D,32D.

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

[3-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-triphenylsilane has a molecular weight of 665.92 g/mol, XLogP of 7.68, 7 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-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2,4,5,6-tetradeuteriophenyl]-triphenylsilane is sourced from PubChem (CID 164843236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).