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

C60H43NSSi2 — CID 154007174

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

(3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane (PubChem CID 154007174) has the molecular formula C60H43NSSi2 and a molecular weight of 866.25 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane.

Molecular Properties

• Compound Name: (3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
• PubChem CID: 154007174
• Molecular Formula: C60H43NSSi2
• Molecular Weight: 866.25 g/mol
• Exact Mass: 865.27
• IUPAC Name: (3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3sc3ccccc34)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C60H43NSSi2/c1-5-22-45(23-6-1)63(46-24-7-2-8-25-46,51-30-19-21-44(43-51)61-56-35-16-13-31-52(56)53-32-14-17-36-57(53)61)49-39-41-50(42-40-49)64(47-26-9-3-10-27-47,48-28-11-4-12-29-48)59-38-20-34-55-54-33-15-18-37-58(54)62-60(55)59/h1-43H
• InChIKey: WSUITSOCTPJVPG-UHFFFAOYSA-N
• XLogP: 9.91
• TPSA: 4.93 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	866.25
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane?

The IUPAC name of (3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane (CID 154007174) is (3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane.

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

The canonical SMILES for (3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2ccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3sc3ccccc34)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.

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

The InChIKey is WSUITSOCTPJVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NSSi2/c1-5-22-45(23-6-1)63(46-24-7-2-8-25-46,51-30-19-21-44(43-51)61-56-35-16-13-31-52(56)53-32-14-17-36-57(53)61)49-39-41-50(42-40-49)64(47-26-9-3-10-27-47,48-28-11-4-12-29-48)59-38-20-34-55-54-33-15-18-37-58(54)62-60(55)59/h1-43H.

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

(3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane has a molecular weight of 866.25 g/mol, XLogP of 9.91, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane is sourced from PubChem (CID 154007174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).