[8-(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-11,12-diphenylindolo[2,3-a]carbazol-3-yl]-triphenylsilane

C96H66N4Si2 — CID 58489581

About [8-(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-11,12-diphenylindolo[2,3-a]carbazol-3-yl]-triphenylsilane

[8-(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-11,12-diphenylindolo[2,3-a]carbazol-3-yl]-triphenylsilane (PubChem CID 58489581) has the molecular formula C96H66N4Si2 and a molecular weight of 1331.78 g/mol. Its IUPAC name is [8-(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-11,12-diphenylindolo[2,3-a]carbazol-3-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [8-(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-11,12-diphenylindolo[2,3-a]carbazol-3-yl]-triphenylsilane
• PubChem CID: 58489581
• Molecular Formula: C96H66N4Si2
• Molecular Weight: 1331.78 g/mol
• Exact Mass: 1330.48
• IUPAC Name: [8-(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-11,12-diphenylindolo[2,3-a]carbazol-3-yl]-triphenylsilane
• SMILES: c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccc6c7cc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)ccc7n(-c7ccccc7)c6c4n5-c4ccccc4)cc3c3ccc4c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc5n(-c5ccccc5)c4c32)cc1
• InChI: InChI=1S/C96H66N4Si2/c1-11-31-69(32-12-1)97-89-59-51-67(63-85(89)81-55-57-83-87-65-79(53-61-91(87)99(95(83)93(81)97)71-35-15-3-16-36-71)101(73-39-19-5-20-40-73,74-41-21-6-22-42-74)75-43-23-7-24-44-75)68-52-60-90-86(64-68)82-56-58-84-88-66-80(102(76-45-25-8-26-46-76,77-47-27-9-28-48-77)78-49-29-10-30-50-78)54-62-92(88)100(72-37-17-4-18-38-72)96(84)94(82)98(90)70-33-13-2-14-34-70/h1-66H
• InChIKey: HWKDLWIZJKEODH-UHFFFAOYSA-N
• XLogP: 18.50
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1331.78
LogP ≤ 5	18.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 [8-(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-11,12-diphenylindolo[2,3-a]carbazol-3-yl]-triphenylsilane?

The IUPAC name of [8-(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-11,12-diphenylindolo[2,3-a]carbazol-3-yl]-triphenylsilane (CID 58489581) is [8-(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-11,12-diphenylindolo[2,3-a]carbazol-3-yl]-triphenylsilane.

What is the SMILES notation for [8-(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-11,12-diphenylindolo[2,3-a]carbazol-3-yl]-triphenylsilane?

The canonical SMILES for [8-(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-11,12-diphenylindolo[2,3-a]carbazol-3-yl]-triphenylsilane is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccc6c7cc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)ccc7n(-c7ccccc7)c6c4n5-c4ccccc4)cc3c3ccc4c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc5n(-c5ccccc5)c4c32)cc1.

What is the InChIKey of [8-(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-11,12-diphenylindolo[2,3-a]carbazol-3-yl]-triphenylsilane?

The InChIKey is HWKDLWIZJKEODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H66N4Si2/c1-11-31-69(32-12-1)97-89-59-51-67(63-85(89)81-55-57-83-87-65-79(53-61-91(87)99(95(83)93(81)97)71-35-15-3-16-36-71)101(73-39-19-5-20-40-73,74-41-21-6-22-42-74)75-43-23-7-24-44-75)68-52-60-90-86(64-68)82-56-58-84-88-66-80(102(76-45-25-8-26-46-76,77-47-27-9-28-48-77)78-49-29-10-30-50-78)54-62-92(88)100(72-37-17-4-18-38-72)96(84)94(82)98(90)70-33-13-2-14-34-70/h1-66H.

What are the key properties of [8-(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-11,12-diphenylindolo[2,3-a]carbazol-3-yl]-triphenylsilane?

[8-(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-11,12-diphenylindolo[2,3-a]carbazol-3-yl]-triphenylsilane has a molecular weight of 1331.78 g/mol, XLogP of 18.50, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [8-(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-11,12-diphenylindolo[2,3-a]carbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 58489581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).