[9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane

C66H45N3Si — CID 170515733

About [9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane

[9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane (PubChem CID 170515733) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is [9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane
• PubChem CID: 170515733
• Molecular Formula: C66H45N3Si
• Molecular Weight: 908.19 g/mol
• Exact Mass: 907.34
• IUPAC Name: [9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane
• SMILES: c1ccc(-c2cccc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c65)cc43)c2)cc1
• InChI: InChI=1S/C66H45N3Si/c1-5-21-46(22-6-1)47-23-19-24-48(43-47)68-63-44-49(67-60-35-16-13-31-54(60)55-32-14-17-36-61(55)67)39-41-57(63)58-42-40-50(45-64(58)68)69-62-37-18-15-33-56(62)59-34-20-38-65(66(59)69)70(51-25-7-2-8-26-51,52-27-9-3-10-28-52)53-29-11-4-12-30-53/h1-45H
• InChIKey: RJJIHDFZWITXIO-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 [9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane?

The IUPAC name of [9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane (CID 170515733) is [9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane.

What is the SMILES notation for [9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane?

The canonical SMILES for [9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane is c1ccc(-c2cccc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c65)cc43)c2)cc1.

What is the InChIKey of [9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane?

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

What are the key properties of [9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane?

[9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-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 [9-[7-carbazol-9-yl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane is sourced from PubChem (CID 170515733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).