[9-[9-[4-[diphenyl-(4-phenylphenyl)silyl]-2,6-diphenylphenyl]carbazol-3-yl]carbazol-4-yl]-triphenylsilane

C84H60N2Si2 — CID 168762404

About [9-[9-[4-[diphenyl-(4-phenylphenyl)silyl]-2,6-diphenylphenyl]carbazol-3-yl]carbazol-4-yl]-triphenylsilane

[9-[9-[4-[diphenyl-(4-phenylphenyl)silyl]-2,6-diphenylphenyl]carbazol-3-yl]carbazol-4-yl]-triphenylsilane (PubChem CID 168762404) has the molecular formula C84H60N2Si2 and a molecular weight of 1153.59 g/mol. Its IUPAC name is [9-[9-[4-[diphenyl-(4-phenylphenyl)silyl]-2,6-diphenylphenyl]carbazol-3-yl]carbazol-4-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [9-[9-[4-[diphenyl-(4-phenylphenyl)silyl]-2,6-diphenylphenyl]carbazol-3-yl]carbazol-4-yl]-triphenylsilane
• PubChem CID: 168762404
• Molecular Formula: C84H60N2Si2
• Molecular Weight: 1153.59 g/mol
• Exact Mass: 1152.43
• IUPAC Name: [9-[9-[4-[diphenyl-(4-phenylphenyl)silyl]-2,6-diphenylphenyl]carbazol-3-yl]carbazol-4-yl]-triphenylsilane
• SMILES: c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7c([Si](c8ccccc8)(c8ccccc8)c8ccccc8)cccc76)ccc54)c(-c4ccccc4)c3)cc2)cc1
• InChI: InChI=1S/C84H60N2Si2/c1-9-30-61(31-10-1)62-52-55-71(56-53-62)87(66-36-15-4-16-37-66,67-38-17-5-18-39-67)72-59-75(63-32-11-2-12-33-63)84(76(60-72)64-34-13-3-14-35-64)86-78-48-27-25-46-73(78)77-58-65(54-57-80(77)86)85-79-49-28-26-47-74(79)83-81(85)50-29-51-82(83)88(68-40-19-6-20-41-68,69-42-21-7-22-43-69)70-44-23-8-24-45-70/h1-60H
• InChIKey: AZJYNCXQAVNSTM-UHFFFAOYSA-N
• XLogP: 15.64
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1153.59
LogP ≤ 5	15.64
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 [9-[9-[4-[diphenyl-(4-phenylphenyl)silyl]-2,6-diphenylphenyl]carbazol-3-yl]carbazol-4-yl]-triphenylsilane?

The IUPAC name of [9-[9-[4-[diphenyl-(4-phenylphenyl)silyl]-2,6-diphenylphenyl]carbazol-3-yl]carbazol-4-yl]-triphenylsilane (CID 168762404) is [9-[9-[4-[diphenyl-(4-phenylphenyl)silyl]-2,6-diphenylphenyl]carbazol-3-yl]carbazol-4-yl]-triphenylsilane.

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

The canonical SMILES for [9-[9-[4-[diphenyl-(4-phenylphenyl)silyl]-2,6-diphenylphenyl]carbazol-3-yl]carbazol-4-yl]-triphenylsilane is c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7c([Si](c8ccccc8)(c8ccccc8)c8ccccc8)cccc76)ccc54)c(-c4ccccc4)c3)cc2)cc1.

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

The InChIKey is AZJYNCXQAVNSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H60N2Si2/c1-9-30-61(31-10-1)62-52-55-71(56-53-62)87(66-36-15-4-16-37-66,67-38-17-5-18-39-67)72-59-75(63-32-11-2-12-33-63)84(76(60-72)64-34-13-3-14-35-64)86-78-48-27-25-46-73(78)77-58-65(54-57-80(77)86)85-79-49-28-26-47-74(79)83-81(85)50-29-51-82(83)88(68-40-19-6-20-41-68,69-42-21-7-22-43-69)70-44-23-8-24-45-70/h1-60H.

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

[9-[9-[4-[diphenyl-(4-phenylphenyl)silyl]-2,6-diphenylphenyl]carbazol-3-yl]carbazol-4-yl]-triphenylsilane has a molecular weight of 1153.59 g/mol, XLogP of 15.64, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [9-[9-[4-[diphenyl-(4-phenylphenyl)silyl]-2,6-diphenylphenyl]carbazol-3-yl]carbazol-4-yl]-triphenylsilane is sourced from PubChem (CID 168762404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).