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

C51H34N4SSi — CID 164757111

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

[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane (PubChem CID 164757111) has the molecular formula C51H34N4SSi and a molecular weight of 763.01 g/mol. Its IUPAC name is [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane.

Molecular Properties

• Compound Name: [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane
• PubChem CID: 164757111
• Molecular Formula: C51H34N4SSi
• Molecular Weight: 763.01 g/mol
• Exact Mass: 762.23
• IUPAC Name: [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane
• SMILES: c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C51H34N4SSi/c1-4-18-35(19-5-1)49-52-50(54-51(53-49)55-44-30-13-10-26-40(44)41-27-11-14-31-45(41)55)36-20-16-25-39(34-36)57(37-21-6-2-7-22-37,38-23-8-3-9-24-38)47-33-17-29-43-42-28-12-15-32-46(42)56-48(43)47/h1-34H
• InChIKey: LMOVLNFFVZPWCV-UHFFFAOYSA-N
• XLogP: 10.05
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.01
LogP ≤ 5	10.05
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 [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane?

The IUPAC name of [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane (CID 164757111) is [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane.

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

The canonical SMILES for [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane is c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.

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

The InChIKey is LMOVLNFFVZPWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4SSi/c1-4-18-35(19-5-1)49-52-50(54-51(53-49)55-44-30-13-10-26-40(44)41-27-11-14-31-45(41)55)36-20-16-25-39(34-36)57(37-21-6-2-7-22-37,38-23-8-3-9-24-38)47-33-17-29-43-42-28-12-15-32-46(42)56-48(43)47/h1-34H.

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

[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane has a molecular weight of 763.01 g/mol, XLogP of 10.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane is sourced from PubChem (CID 164757111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).