bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole

C84H57N3SSi — CID 161133194

About bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole

bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole (PubChem CID 161133194) has the molecular formula C84H57N3SSi and a molecular weight of 1168.55 g/mol. Its IUPAC name is bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
• PubChem CID: 161133194
• Molecular Formula: C84H57N3SSi
• Molecular Weight: 1168.55 g/mol
• Exact Mass: 1167.40
• IUPAC Name: bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
• SMILES: c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C48H34N2Si.C36H23NS/c1-3-19-37(20-4-1)51(38-21-5-2-6-22-38,39-23-15-17-35(33-39)49-45-29-11-7-25-41(45)42-26-8-12-30-46(42)49)40-24-16-18-36(34-40)50-47-31-13-9-27-43(47)44-28-10-14-32-48(44)50;1-4-19-33-29(14-1)30-15-2-5-20-34(30)37(33)27-13-8-11-25(23-27)24-10-7-12-26(22-24)28-17-9-18-32-31-16-3-6-21-35(31)38-36(28)32/h1-34H;1-23H
• InChIKey: UMLSDAIDCUFJTD-UHFFFAOYSA-N
• XLogP: 19.74
• TPSA: 14.79 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1168.55
LogP ≤ 5	19.74
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 bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole?

The IUPAC name of bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole (CID 161133194) is bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole.

What is the SMILES notation for bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole?

The canonical SMILES for bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole is c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.

What is the InChIKey of bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole?

The InChIKey is UMLSDAIDCUFJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2Si.C36H23NS/c1-3-19-37(20-4-1)51(38-21-5-2-6-22-38,39-23-15-17-35(33-39)49-45-29-11-7-25-41(45)42-26-8-12-30-46(42)49)40-24-16-18-36(34-40)50-47-31-13-9-27-43(47)44-28-10-14-32-48(44)50;1-4-19-33-29(14-1)30-15-2-5-20-34(30)37(33)27-13-8-11-25(23-27)24-10-7-12-26(22-24)28-17-9-18-32-31-16-3-6-21-35(31)38-36(28)32/h1-34H;1-23H.

What are the key properties of bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole?

bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole has a molecular weight of 1168.55 g/mol, XLogP of 19.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 161133194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).