[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane

C62H41N7Si — CID 169077493

About [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane

[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 169077493) has the molecular formula C62H41N7Si and a molecular weight of 912.15 g/mol. Its IUPAC name is [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 169077493
• Molecular Formula: C62H41N7Si
• Molecular Weight: 912.15 g/mol
• Exact Mass: 911.32
• IUPAC Name: [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc(-n3c4ccccc4c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc43)cc(-n3c4ccccc4n4c5ccccc5nc34)c2)cc1
• InChI: InChI=1S/C62H41N7Si/c1-4-20-45(21-5-1)70(46-22-6-2-7-23-46,47-24-8-3-9-25-47)48-39-43(38-44(40-48)67-57-33-17-19-35-59(57)69-55-31-15-12-28-52(55)64-62(67)69)65-53-29-13-10-26-49(53)50-37-36-42(41-60(50)65)66-56-32-16-18-34-58(56)68-54-30-14-11-27-51(54)63-61(66)68/h1-41H
• InChIKey: PXMPJIAAGCDKIP-UHFFFAOYSA-N
• XLogP: 11.65
• TPSA: 49.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.15
LogP ≤ 5	11.65
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 [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 169077493) is [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc(-n3c4ccccc4c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc43)cc(-n3c4ccccc4n4c5ccccc5nc34)c2)cc1.

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

The InChIKey is PXMPJIAAGCDKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N7Si/c1-4-20-45(21-5-1)70(46-22-6-2-7-23-46,47-24-8-3-9-25-47)48-39-43(38-44(40-48)67-57-33-17-19-35-59(57)69-55-31-15-12-28-52(55)64-62(67)69)65-53-29-13-10-26-49(53)50-37-36-42(41-60(50)65)66-56-32-16-18-34-58(56)68-54-30-14-11-27-51(54)63-61(66)68/h1-41H.

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

[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 912.15 g/mol, XLogP of 11.65, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 169077493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).