[3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane

C66H45N3Si — CID 170515344

About [3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane

[3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane (PubChem CID 170515344) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is [3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
• PubChem CID: 170515344
• Molecular Formula: C66H45N3Si
• Molecular Weight: 908.19 g/mol
• Exact Mass: 907.34
• IUPAC Name: [3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c65)ccc43)c2)cc1
• InChI: InChI=1S/C66H45N3Si/c1-5-22-46(23-6-1)47-24-21-25-48(42-47)67-62-38-19-15-34-56(62)58-43-49(40-41-64(58)67)69-63-39-20-16-35-57(63)59-44-50(68-60-36-17-13-32-54(60)55-33-14-18-37-61(55)68)45-65(66(59)69)70(51-26-7-2-8-27-51,52-28-9-3-10-29-52)53-30-11-4-12-31-53/h1-45H
• InChIKey: SKOARXXZWQGNJC-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-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane?

The IUPAC name of [3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane (CID 170515344) is [3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane.

What is the SMILES notation for [3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane?

The canonical SMILES for [3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c65)ccc43)c2)cc1.

What is the InChIKey of [3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane?

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

What are the key properties of [3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane?

[3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-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-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane is sourced from PubChem (CID 170515344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).