triphenyl-[3-[4-phenyl-6-(5-phenyl-9-triphenylsilylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane

C75H53N5Si2 — CID 168842633

About triphenyl-[3-[4-phenyl-6-(5-phenyl-9-triphenylsilylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane

triphenyl-[3-[4-phenyl-6-(5-phenyl-9-triphenylsilylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 168842633) has the molecular formula C75H53N5Si2 and a molecular weight of 1080.46 g/mol. Its IUPAC name is triphenyl-[3-[4-phenyl-6-(5-phenyl-9-triphenylsilylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[4-phenyl-6-(5-phenyl-9-triphenylsilylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane
• PubChem CID: 168842633
• Molecular Formula: C75H53N5Si2
• Molecular Weight: 1080.46 g/mol
• Exact Mass: 1079.38
• IUPAC Name: triphenyl-[3-[4-phenyl-6-(5-phenyl-9-triphenylsilylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane
• SMILES: c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
• InChI: InChI=1S/C75H53N5Si2/c1-9-28-54(29-10-1)73-76-74(55-30-27-45-63(52-55)81(57-33-13-3-14-34-57,58-35-15-4-16-36-58)59-37-17-5-18-38-59)78-75(77-73)80-69-50-48-64(82(60-39-19-6-20-40-60,61-41-21-7-22-42-61)62-43-23-8-24-44-62)53-67(69)65-49-51-70-71(72(65)80)66-46-25-26-47-68(66)79(70)56-31-11-2-12-32-56/h1-53H
• InChIKey: DWPOQTVRNFXJNZ-UHFFFAOYSA-N
• XLogP: 12.15
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1080.46
LogP ≤ 5	12.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[4-phenyl-6-(5-phenyl-9-triphenylsilylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane?

The IUPAC name of triphenyl-[3-[4-phenyl-6-(5-phenyl-9-triphenylsilylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane (CID 168842633) is triphenyl-[3-[4-phenyl-6-(5-phenyl-9-triphenylsilylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane.

What is the SMILES notation for triphenyl-[3-[4-phenyl-6-(5-phenyl-9-triphenylsilylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane?

The canonical SMILES for triphenyl-[3-[4-phenyl-6-(5-phenyl-9-triphenylsilylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane is c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.

What is the InChIKey of triphenyl-[3-[4-phenyl-6-(5-phenyl-9-triphenylsilylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane?

The InChIKey is DWPOQTVRNFXJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H53N5Si2/c1-9-28-54(29-10-1)73-76-74(55-30-27-45-63(52-55)81(57-33-13-3-14-34-57,58-35-15-4-16-36-58)59-37-17-5-18-38-59)78-75(77-73)80-69-50-48-64(82(60-39-19-6-20-40-60,61-41-21-7-22-42-61)62-43-23-8-24-44-62)53-67(69)65-49-51-70-71(72(65)80)66-46-25-26-47-68(66)79(70)56-31-11-2-12-32-56/h1-53H.

What are the key properties of triphenyl-[3-[4-phenyl-6-(5-phenyl-9-triphenylsilylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane?

triphenyl-[3-[4-phenyl-6-(5-phenyl-9-triphenylsilylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane has a molecular weight of 1080.46 g/mol, XLogP of 12.15, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[4-phenyl-6-(5-phenyl-9-triphenylsilylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane is sourced from PubChem (CID 168842633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).