9-[9-[9-(4-triphenylsilylphenyl)carbazol-2-yl]carbazol-4-yl]carbazole-2-carbonitrile

C61H40N4Si — CID 166589076

About 9-[9-[9-(4-triphenylsilylphenyl)carbazol-2-yl]carbazol-4-yl]carbazole-2-carbonitrile

9-[9-[9-(4-triphenylsilylphenyl)carbazol-2-yl]carbazol-4-yl]carbazole-2-carbonitrile (PubChem CID 166589076) has the molecular formula C61H40N4Si and a molecular weight of 857.11 g/mol. Its IUPAC name is 9-[9-[9-(4-triphenylsilylphenyl)carbazol-2-yl]carbazol-4-yl]carbazole-2-carbonitrile.

Molecular Properties

• Compound Name: 9-[9-[9-(4-triphenylsilylphenyl)carbazol-2-yl]carbazol-4-yl]carbazole-2-carbonitrile
• PubChem CID: 166589076
• Molecular Formula: C61H40N4Si
• Molecular Weight: 857.11 g/mol
• Exact Mass: 856.30
• IUPAC Name: 9-[9-[9-(4-triphenylsilylphenyl)carbazol-2-yl]carbazol-4-yl]carbazole-2-carbonitrile
• SMILES: N#Cc1ccc2c3ccccc3n(-c3cccc4c3c3ccccc3n4-c3ccc4c5ccccc5n(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c4c3)c2c1
• InChI: InChI=1S/C61H40N4Si/c62-41-42-31-37-51-50-24-11-14-27-55(50)65(59(51)39-42)58-30-16-29-57-61(58)53-25-12-15-28-56(53)64(57)44-34-38-52-49-23-10-13-26-54(49)63(60(52)40-44)43-32-35-48(36-33-43)66(45-17-4-1-5-18-45,46-19-6-2-7-20-46)47-21-8-3-9-22-47/h1-40H
• InChIKey: JLJLRXBYRHGJMN-UHFFFAOYSA-N
• XLogP: 12.23
• TPSA: 38.58 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.11
LogP ≤ 5	12.23
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 9-[9-[9-(4-triphenylsilylphenyl)carbazol-2-yl]carbazol-4-yl]carbazole-2-carbonitrile?

The IUPAC name of 9-[9-[9-(4-triphenylsilylphenyl)carbazol-2-yl]carbazol-4-yl]carbazole-2-carbonitrile (CID 166589076) is 9-[9-[9-(4-triphenylsilylphenyl)carbazol-2-yl]carbazol-4-yl]carbazole-2-carbonitrile.

What is the SMILES notation for 9-[9-[9-(4-triphenylsilylphenyl)carbazol-2-yl]carbazol-4-yl]carbazole-2-carbonitrile?

The canonical SMILES for 9-[9-[9-(4-triphenylsilylphenyl)carbazol-2-yl]carbazol-4-yl]carbazole-2-carbonitrile is N#Cc1ccc2c3ccccc3n(-c3cccc4c3c3ccccc3n4-c3ccc4c5ccccc5n(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c4c3)c2c1.

What is the InChIKey of 9-[9-[9-(4-triphenylsilylphenyl)carbazol-2-yl]carbazol-4-yl]carbazole-2-carbonitrile?

The InChIKey is JLJLRXBYRHGJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4Si/c62-41-42-31-37-51-50-24-11-14-27-55(50)65(59(51)39-42)58-30-16-29-57-61(58)53-25-12-15-28-56(53)64(57)44-34-38-52-49-23-10-13-26-54(49)63(60(52)40-44)43-32-35-48(36-33-43)66(45-17-4-1-5-18-45,46-19-6-2-7-20-46)47-21-8-3-9-22-47/h1-40H.

What are the key properties of 9-[9-[9-(4-triphenylsilylphenyl)carbazol-2-yl]carbazol-4-yl]carbazole-2-carbonitrile?

9-[9-[9-(4-triphenylsilylphenyl)carbazol-2-yl]carbazol-4-yl]carbazole-2-carbonitrile has a molecular weight of 857.11 g/mol, XLogP of 12.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9-[9-(4-triphenylsilylphenyl)carbazol-2-yl]carbazol-4-yl]carbazole-2-carbonitrile is sourced from PubChem (CID 166589076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).