[9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane

C66H45N3Si — CID 170515569

About [9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane

[9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane (PubChem CID 170515569) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is [9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
• PubChem CID: 170515569
• Molecular Formula: C66H45N3Si
• Molecular Weight: 908.19 g/mol
• Exact Mass: 907.34
• IUPAC Name: [9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
• SMILES: c1ccc(-c2ccccc2-n2c3cc(-n4c5ccccc5c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc54)ccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)cc1
• InChI: InChI=1S/C66H45N3Si/c1-5-22-46(23-6-1)52-30-13-17-35-59(52)69-64-44-47(40-42-57(64)58-34-21-39-63(66(58)69)68-61-37-19-15-31-53(61)54-32-16-20-38-62(54)68)67-60-36-18-14-33-55(60)56-43-41-51(45-65(56)67)70(48-24-7-2-8-25-48,49-26-9-3-10-27-49)50-28-11-4-12-29-50/h1-45H
• InChIKey: RDGIYMWBYQAREQ-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-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane?

The IUPAC name of [9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane (CID 170515569) is [9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane.

What is the SMILES notation for [9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane?

The canonical SMILES for [9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane is c1ccc(-c2ccccc2-n2c3cc(-n4c5ccccc5c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc54)ccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)cc1.

What is the InChIKey of [9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane?

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

What are the key properties of [9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane?

[9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-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-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane is sourced from PubChem (CID 170515569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).