[3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

C66H45N3Si — CID 166588896

About [3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

[3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 166588896) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is [3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 166588896
• Molecular Formula: C66H45N3Si
• Molecular Weight: 908.19 g/mol
• Exact Mass: 907.34
• IUPAC Name: [3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(-c2ccc3c4c(-n5c6ccccc6c6ccccc65)cccc4n(-c4ccc5c(c4)c4ccccc4n5-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c3c2)cc1
• InChI: InChI=1S/C66H45N3Si/c1-5-21-46(22-6-1)47-39-41-57-65(43-47)68(63-37-20-38-64(66(57)63)69-60-35-17-13-31-54(60)55-32-14-18-36-61(55)69)49-40-42-62-58(45-49)56-33-15-16-34-59(56)67(62)48-23-19-30-53(44-48)70(50-24-7-2-8-25-50,51-26-9-3-10-27-51)52-28-11-4-12-29-52/h1-45H
• InChIKey: STGMMWVNIRLNMI-UHFFFAOYSA-N
• XLogP: 14.02
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.19
LogP ≤ 5	14.02
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 [3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 166588896) is [3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is c1ccc(-c2ccc3c4c(-n5c6ccccc6c6ccccc65)cccc4n(-c4ccc5c(c4)c4ccccc4n5-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c3c2)cc1.

What is the InChIKey of [3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The InChIKey is STGMMWVNIRLNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-5-21-46(22-6-1)47-39-41-57-65(43-47)68(63-37-20-38-64(66(57)63)69-60-35-17-13-31-54(60)55-32-14-18-36-61(55)69)49-40-42-62-58(45-49)56-33-15-16-34-59(56)67(62)48-23-19-30-53(44-48)70(50-24-7-2-8-25-50,51-26-9-3-10-27-51)52-28-11-4-12-29-52/h1-45H.

What are the key properties of [3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

[3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 908.19 g/mol, XLogP of 14.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166588896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).