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

C60H41N3Si — CID 166588500

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

[4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 166588500) has the molecular formula C60H41N3Si and a molecular weight of 832.10 g/mol. Its IUPAC name is [4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 166588500
• Molecular Formula: C60H41N3Si
• Molecular Weight: 832.10 g/mol
• Exact Mass: 831.31
• IUPAC Name: [4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)cc43)cc2)cc1
• InChI: InChI=1S/C60H41N3Si/c1-4-19-44(20-5-1)64(45-21-6-2-7-22-45,46-23-8-3-9-24-46)47-38-35-42(36-39-47)61-53-29-14-10-27-50(53)51-40-37-43(41-59(51)61)62-56-32-17-13-28-52(56)60-57(62)33-18-34-58(60)63-54-30-15-11-25-48(54)49-26-12-16-31-55(49)63/h1-41H
• InChIKey: HCVRRZXQVJJBMN-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.10
LogP ≤ 5	12.36
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-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 166588500) is [4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)cc43)cc2)cc1.

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

The InChIKey is HCVRRZXQVJJBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3Si/c1-4-19-44(20-5-1)64(45-21-6-2-7-22-45,46-23-8-3-9-24-46)47-38-35-42(36-39-47)61-53-29-14-10-27-50(53)51-40-37-43(41-59(51)61)62-56-32-17-13-28-52(56)60-57(62)33-18-34-58(60)63-54-30-15-11-25-48(54)49-26-12-16-31-55(49)63/h1-41H.

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

[4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 832.10 g/mol, XLogP of 12.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166588500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).