(3-carbazol-9-ylphenyl)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane

C69H51NSSi2 — CID 154007176

About (3-carbazol-9-ylphenyl)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane

(3-carbazol-9-ylphenyl)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane (PubChem CID 154007176) has the molecular formula C69H51NSSi2 and a molecular weight of 982.41 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane.

Molecular Properties

• Compound Name: (3-carbazol-9-ylphenyl)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane
• PubChem CID: 154007176
• Molecular Formula: C69H51NSSi2
• Molecular Weight: 982.41 g/mol
• Exact Mass: 981.33
• IUPAC Name: (3-carbazol-9-ylphenyl)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane
• SMILES: CC1(C)c2cc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3sc3ccccc34)cc21
• InChI: InChI=1S/C69H51NSSi2/c1-69(2)62-46-54(72(49-24-7-3-8-25-49,50-26-9-4-10-27-50)53-32-21-23-48(45-53)70-64-37-18-15-33-58(64)59-34-16-19-38-65(59)70)41-43-56(62)57-44-42-55(47-63(57)69)73(51-28-11-5-12-29-51,52-30-13-6-14-31-52)67-40-22-36-61-60-35-17-20-39-66(60)71-68(61)67/h3-47H,1-2H3
• InChIKey: YYAXIWPBZGTSLG-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 4.93 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	982.41
LogP ≤ 5	12.21
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)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane?

The IUPAC name of (3-carbazol-9-ylphenyl)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane (CID 154007176) is (3-carbazol-9-ylphenyl)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane.

What is the SMILES notation for (3-carbazol-9-ylphenyl)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane?

The canonical SMILES for (3-carbazol-9-ylphenyl)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane is CC1(C)c2cc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3sc3ccccc34)cc21.

What is the InChIKey of (3-carbazol-9-ylphenyl)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane?

The InChIKey is YYAXIWPBZGTSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H51NSSi2/c1-69(2)62-46-54(72(49-24-7-3-8-25-49,50-26-9-4-10-27-50)53-32-21-23-48(45-53)70-64-37-18-15-33-58(64)59-34-16-19-38-65(59)70)41-43-56(62)57-44-42-55(47-63(57)69)73(51-28-11-5-12-29-51,52-30-13-6-14-31-52)67-40-22-36-61-60-35-17-20-39-66(60)71-68(61)67/h3-47H,1-2H3.

What are the key properties of (3-carbazol-9-ylphenyl)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane?

(3-carbazol-9-ylphenyl)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane has a molecular weight of 982.41 g/mol, XLogP of 12.21, 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)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane is sourced from PubChem (CID 154007176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).