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

C51H34N4SSi — CID 170779783

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

dibenzothiophen-1-yl-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-diphenylsilane (PubChem CID 170779783) has the molecular formula C51H34N4SSi and a molecular weight of 763.01 g/mol. Its IUPAC name is dibenzothiophen-1-yl-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-diphenylsilane.

Molecular Properties

• Compound Name: dibenzothiophen-1-yl-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-diphenylsilane
• PubChem CID: 170779783
• Molecular Formula: C51H34N4SSi
• Molecular Weight: 763.01 g/mol
• Exact Mass: 762.23
• IUPAC Name: dibenzothiophen-1-yl-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-diphenylsilane
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc([Si](c5ccccc5)(c5ccccc5)c5cccc6sc7ccccc7c56)cc43)n2)cc1
• InChI: InChI=1S/C51H34N4SSi/c1-5-18-35(19-6-1)49-52-50(36-20-7-2-8-21-36)54-51(53-49)55-43-28-15-13-26-40(43)41-33-32-39(34-44(41)55)57(37-22-9-3-10-23-37,38-24-11-4-12-25-38)47-31-17-30-46-48(47)42-27-14-16-29-45(42)56-46/h1-34H
• InChIKey: AHRQFJSHVSJHNA-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 dibenzothiophen-1-yl-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-diphenylsilane?

The IUPAC name of dibenzothiophen-1-yl-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-diphenylsilane (CID 170779783) is dibenzothiophen-1-yl-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-diphenylsilane.

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

The canonical SMILES for dibenzothiophen-1-yl-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-diphenylsilane is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc([Si](c5ccccc5)(c5ccccc5)c5cccc6sc7ccccc7c56)cc43)n2)cc1.

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

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

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

dibenzothiophen-1-yl-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-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 dibenzothiophen-1-yl-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-diphenylsilane is sourced from PubChem (CID 170779783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).