[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane

C62H41N7Si — CID 171405556

About [3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane

[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 171405556) has the molecular formula C62H41N7Si and a molecular weight of 912.15 g/mol. Its IUPAC name is [3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 171405556
• Molecular Formula: C62H41N7Si
• Molecular Weight: 912.15 g/mol
• Exact Mass: 911.32
• IUPAC Name: [3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc4c4cc(-n5c6ccccc6n6c7ccccc7nc56)ccc43)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)48-26-18-19-42(39-48)65-53-37-35-43(66-57-31-14-16-33-59(57)68-55-29-12-10-27-51(55)63-61(66)68)40-49(53)50-41-44(36-38-54(50)65)67-58-32-15-17-34-60(58)69-56-30-13-11-28-52(56)64-62(67)69/h1-41H
• InChIKey: DDQLBBYUOACJPU-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-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 171405556) is [3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc4c4cc(-n5c6ccccc6n6c7ccccc7nc56)ccc43)c2)cc1.

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

The InChIKey is DDQLBBYUOACJPU-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)48-26-18-19-42(39-48)65-53-37-35-43(66-57-31-14-16-33-59(57)68-55-29-12-10-27-51(55)63-61(66)68)40-49(53)50-41-44(36-38-54(50)65)67-58-32-15-17-34-60(58)69-56-30-13-11-28-52(56)64-62(67)69/h1-41H.

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

[3-[3,6-bis(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-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 171405556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).