[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

C64H43N7Si — CID 168826577

About [4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 168826577) has the molecular formula C64H43N7Si and a molecular weight of 938.18 g/mol. Its IUPAC name is [4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 168826577
• Molecular Formula: C64H43N7Si
• Molecular Weight: 938.18 g/mol
• Exact Mass: 937.33
• IUPAC Name: [4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)nc(-n3c4ccccc4n4c5ccccc5nc34)n2)cc1
• InChI: InChI=1S/C64H43N7Si/c1-6-20-44(21-7-1)47-36-40-56-53(42-47)54-43-48(45-22-8-2-9-23-45)37-41-57(54)69(56)62-66-61(67-63(68-62)71-60-33-19-18-32-59(60)70-58-31-17-16-30-55(58)65-64(70)71)46-34-38-52(39-35-46)72(49-24-10-3-11-25-49,50-26-12-4-13-27-50)51-28-14-5-15-29-51/h1-43H
• InChIKey: SYKXJZHQTODZKB-UHFFFAOYSA-N
• XLogP: 12.09
• TPSA: 65.83 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.18
LogP ≤ 5	12.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 [4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 168826577) is [4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The canonical SMILES for [4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)nc(-n3c4ccccc4n4c5ccccc5nc34)n2)cc1.

What is the InChIKey of [4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The InChIKey is SYKXJZHQTODZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N7Si/c1-6-20-44(21-7-1)47-36-40-56-53(42-47)54-43-48(45-22-8-2-9-23-45)37-41-57(54)69(56)62-66-61(67-63(68-62)71-60-33-19-18-32-59(60)70-58-31-17-16-30-55(58)65-64(70)71)46-34-38-52(39-35-46)72(49-24-10-3-11-25-49,50-26-12-4-13-27-50)51-28-14-5-15-29-51/h1-43H.

What are the key properties of [4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 938.18 g/mol, XLogP of 12.09, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 168826577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).