[6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane

C90H64N2Si2 — CID 168762515

About [6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane

[6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane (PubChem CID 168762515) has the molecular formula C90H64N2Si2 and a molecular weight of 1229.69 g/mol. Its IUPAC name is [6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane
• PubChem CID: 168762515
• Molecular Formula: C90H64N2Si2
• Molecular Weight: 1229.69 g/mol
• Exact Mass: 1228.46
• IUPAC Name: [6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc54)c(-c4ccccc4)c3)c2)cc1
• InChI: InChI=1S/C90H64N2Si2/c1-10-32-65(33-11-1)69-58-70(66-34-12-2-13-35-66)60-78(59-69)94(75-46-24-8-25-47-75,76-48-26-9-27-49-76)79-63-82(67-36-14-3-15-37-67)90(83(64-79)68-38-16-4-17-39-68)92-88-56-54-71(91-86-52-30-28-50-80(86)81-51-29-31-53-87(81)91)61-84(88)85-62-77(55-57-89(85)92)93(72-40-18-5-19-41-72,73-42-20-6-21-43-73)74-44-22-7-23-45-74/h1-64H
• InChIKey: XEJPONSANQPSHJ-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1229.69
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 [6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane?

The IUPAC name of [6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane (CID 168762515) is [6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane.

What is the SMILES notation for [6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane?

The canonical SMILES for [6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane is c1ccc(-c2cc(-c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc54)c(-c4ccccc4)c3)c2)cc1.

What is the InChIKey of [6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane?

The InChIKey is XEJPONSANQPSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H64N2Si2/c1-10-32-65(33-11-1)69-58-70(66-34-12-2-13-35-66)60-78(59-69)94(75-46-24-8-25-47-75,76-48-26-9-27-49-76)79-63-82(67-36-14-3-15-37-67)90(83(64-79)68-38-16-4-17-39-68)92-88-56-54-71(91-86-52-30-28-50-80(86)81-51-29-31-53-87(81)91)61-84(88)85-62-77(55-57-89(85)92)93(72-40-18-5-19-41-72,73-42-20-6-21-43-73)74-44-22-7-23-45-74/h1-64H.

What are the key properties of [6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane?

[6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane has a molecular weight of 1229.69 g/mol, XLogP of 17.30, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 168762515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).