3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide

C38H27NO2SSi — CID 148817621

About 3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide

3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide (PubChem CID 148817621) has the molecular formula C38H27NO2SSi and a molecular weight of 589.79 g/mol. Its IUPAC name is 3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide.

Molecular Properties

• Compound Name: 3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide
• PubChem CID: 148817621
• Molecular Formula: C38H27NO2SSi
• Molecular Weight: 589.79 g/mol
• Exact Mass: 589.15
• IUPAC Name: 3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide
• SMILES: C[Si]1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)S(=O)(=O)c2ccccc2-4)ccc1n3-c1ccccc1
• InChI: InChI=1S/C38H27NO2SSi/c1-43(2)37-15-9-7-13-29(37)32-22-34-31(23-38(32)43)30-20-24(17-19-33(30)39(34)26-10-4-3-5-11-26)25-16-18-28-27-12-6-8-14-35(27)42(40,41)36(28)21-25/h3-23H,1-2H3
• InChIKey: ORDNFSVZRBJGPJ-UHFFFAOYSA-N
• XLogP: 8.07
• TPSA: 39.07 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.79
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide?

The IUPAC name of 3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide (CID 148817621) is 3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide.

What is the SMILES notation for 3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide?

The canonical SMILES for 3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide is C[Si]1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)S(=O)(=O)c2ccccc2-4)ccc1n3-c1ccccc1.

What is the InChIKey of 3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide?

The InChIKey is ORDNFSVZRBJGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27NO2SSi/c1-43(2)37-15-9-7-13-29(37)32-22-34-31(23-38(32)43)30-20-24(17-19-33(30)39(34)26-10-4-3-5-11-26)25-16-18-28-27-12-6-8-14-35(27)42(40,41)36(28)21-25/h3-23H,1-2H3.

What are the key properties of 3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide?

3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide has a molecular weight of 589.79 g/mol, XLogP of 8.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 148817621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).