(3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane

C66H45NS2Si2 — CID 154007179

About (3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane

(3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane (PubChem CID 154007179) has the molecular formula C66H45NS2Si2 and a molecular weight of 972.40 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane.

Molecular Properties

• Compound Name: (3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
• PubChem CID: 154007179
• Molecular Formula: C66H45NS2Si2
• Molecular Weight: 972.40 g/mol
• Exact Mass: 971.25
• IUPAC Name: (3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2c([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)cccc23)cc1
• InChI: InChI=1S/C66H45NS2Si2/c1-5-24-47(25-6-1)70(48-26-7-2-8-27-48,51-32-19-23-46(45-51)67-58-39-16-13-33-52(58)53-34-14-17-40-59(53)67)61-42-21-37-56-57-38-22-44-63(66(57)69-65(56)61)71(49-28-9-3-10-29-49,50-30-11-4-12-31-50)62-43-20-36-55-54-35-15-18-41-60(54)68-64(55)62/h1-45H
• InChIKey: WBZQMKPWSLMJDU-UHFFFAOYSA-N
• XLogP: 12.27
• TPSA: 4.93 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	972.40
LogP ≤ 5	12.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane?

The IUPAC name of (3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane (CID 154007179) is (3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane.

What is the SMILES notation for (3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane?

The canonical SMILES for (3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2c([Si](c4ccccc4)(c4ccccc4)c4cccc5c4sc4ccccc45)cccc23)cc1.

What is the InChIKey of (3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane?

The InChIKey is WBZQMKPWSLMJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45NS2Si2/c1-5-24-47(25-6-1)70(48-26-7-2-8-27-48,51-32-19-23-46(45-51)67-58-39-16-13-33-52(58)53-34-14-17-40-59(53)67)61-42-21-37-56-57-38-22-44-63(66(57)69-65(56)61)71(49-28-9-3-10-29-49,50-30-11-4-12-31-50)62-43-20-36-55-54-35-15-18-41-60(54)68-64(55)62/h1-45H.

What are the key properties of (3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane?

(3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane has a molecular weight of 972.40 g/mol, XLogP of 12.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane is sourced from PubChem (CID 154007179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).