[7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane

C66H43N3SSi — CID 171416899

About [7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane

[7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane (PubChem CID 171416899) has the molecular formula C66H43N3SSi and a molecular weight of 938.24 g/mol. Its IUPAC name is [7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane
• PubChem CID: 171416899
• Molecular Formula: C66H43N3SSi
• Molecular Weight: 938.24 g/mol
• Exact Mass: 937.29
• IUPAC Name: [7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3sc4cc(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c23)cc1
• InChI: InChI=1S/C66H43N3SSi/c1-4-21-45(22-5-1)71(46-23-6-2-7-24-46,47-25-8-3-9-26-47)65-38-20-37-63-66(65)54-42-61(62(43-64(54)70-63)68-57-34-17-12-29-50(57)51-30-13-18-35-58(51)68)69-59-36-19-14-31-52(59)53-41-44(39-40-60(53)69)67-55-32-15-10-27-48(55)49-28-11-16-33-56(49)67/h1-43H
• InChIKey: IWVJPYHJOOPGRS-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 14.79 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.24
LogP ≤ 5	14.72
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 [7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane?

The IUPAC name of [7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane (CID 171416899) is [7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane.

What is the SMILES notation for [7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane?

The canonical SMILES for [7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3sc4cc(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c23)cc1.

What is the InChIKey of [7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane?

The InChIKey is IWVJPYHJOOPGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3SSi/c1-4-21-45(22-5-1)71(46-23-6-2-7-24-46,47-25-8-3-9-26-47)65-38-20-37-63-66(65)54-42-61(62(43-64(54)70-63)68-57-34-17-12-29-50(57)51-30-13-18-35-58(51)68)69-59-36-19-14-31-52(59)53-41-44(39-40-60(53)69)67-55-32-15-10-27-48(55)49-28-11-16-33-56(49)67/h1-43H.

What are the key properties of [7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane?

[7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane has a molecular weight of 938.24 g/mol, XLogP of 14.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane is sourced from PubChem (CID 171416899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).