[4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane

C61H43N3Si — CID 166588375

About [4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane

[4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 166588375) has the molecular formula C61H43N3Si and a molecular weight of 846.12 g/mol. Its IUPAC name is [4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 166588375
• Molecular Formula: C61H43N3Si
• Molecular Weight: 846.12 g/mol
• Exact Mass: 845.32
• IUPAC Name: [4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c3ccccc3n(-c3cccc4c3c3ccccc3n4-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c2c1
• InChI: InChI=1S/C61H43N3Si/c1-42-32-39-57-53(40-42)50-25-12-14-27-54(50)63(57)44-35-38-51-49-24-11-15-28-55(49)64(60(51)41-44)59-31-17-30-58-61(59)52-26-13-16-29-56(52)62(58)43-33-36-48(37-34-43)65(45-18-5-2-6-19-45,46-20-7-3-8-21-46)47-22-9-4-10-23-47/h2-41H,1H3
• InChIKey: AOROXEZLXQKQIF-UHFFFAOYSA-N
• XLogP: 12.66
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	846.12
LogP ≤ 5	12.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 [4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane (CID 166588375) is [4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

The canonical SMILES for [4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane is Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c3ccccc3n(-c3cccc4c3c3ccccc3n4-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c2c1.

What is the InChIKey of [4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

The InChIKey is AOROXEZLXQKQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N3Si/c1-42-32-39-57-53(40-42)50-25-12-14-27-54(50)63(57)44-35-38-51-49-24-11-15-28-55(49)64(60(51)41-44)59-31-17-30-58-61(59)52-26-13-16-29-56(52)62(58)43-33-36-48(37-34-43)65(45-18-5-2-6-19-45,46-20-7-3-8-21-46)47-22-9-4-10-23-47/h2-41H,1H3.

What are the key properties of [4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

[4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 846.12 g/mol, XLogP of 12.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166588375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).