triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane

C66H48N2Si2 — CID 168792001

About triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane

triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane (PubChem CID 168792001) has the molecular formula C66H48N2Si2 and a molecular weight of 925.30 g/mol. Its IUPAC name is triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane
• PubChem CID: 168792001
• Molecular Formula: C66H48N2Si2
• Molecular Weight: 925.30 g/mol
• Exact Mass: 924.34
• IUPAC Name: triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane
• SMILES: c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c4c32)cc1
• InChI: InChI=1S/C66H48N2Si2/c1-8-26-49(27-9-1)67-63-42-24-22-40-59(63)61-44-45-62-60-41-23-25-43-64(60)68(66(62)65(61)67)50-46-57(69(51-28-10-2-11-29-51,52-30-12-3-13-31-52)53-32-14-4-15-33-53)48-58(47-50)70(54-34-16-5-17-35-54,55-36-18-6-19-37-55)56-38-20-7-21-39-56/h1-48H
• InChIKey: WIHOWQHQVTZKJH-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.30
LogP ≤ 5	10.64
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 triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane?

The IUPAC name of triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane (CID 168792001) is triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane.

What is the SMILES notation for triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane?

The canonical SMILES for triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c4c32)cc1.

What is the InChIKey of triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane?

The InChIKey is WIHOWQHQVTZKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2Si2/c1-8-26-49(27-9-1)67-63-42-24-22-40-59(63)61-44-45-62-60-41-23-25-43-64(60)68(66(62)65(61)67)50-46-57(69(51-28-10-2-11-29-51,52-30-12-3-13-31-52)53-32-14-4-15-33-53)48-58(47-50)70(54-34-16-5-17-35-54,55-36-18-6-19-37-55)56-38-20-7-21-39-56/h1-48H.

What are the key properties of triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane?

triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane has a molecular weight of 925.30 g/mol, XLogP of 10.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane is sourced from PubChem (CID 168792001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).