triphenyl-[3-[6-phenyl-2-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-6-yl)pyrimidin-4-yl]phenyl]silane

C65H47N5Si2 — CID 168826574

About triphenyl-[3-[6-phenyl-2-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-6-yl)pyrimidin-4-yl]phenyl]silane

triphenyl-[3-[6-phenyl-2-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-6-yl)pyrimidin-4-yl]phenyl]silane (PubChem CID 168826574) has the molecular formula C65H47N5Si2 and a molecular weight of 954.30 g/mol. Its IUPAC name is triphenyl-[3-[6-phenyl-2-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-6-yl)pyrimidin-4-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[6-phenyl-2-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-6-yl)pyrimidin-4-yl]phenyl]silane
• PubChem CID: 168826574
• Molecular Formula: C65H47N5Si2
• Molecular Weight: 954.30 g/mol
• Exact Mass: 953.34
• IUPAC Name: triphenyl-[3-[6-phenyl-2-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-6-yl)pyrimidin-4-yl]phenyl]silane
• SMILES: c1ccc(-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4n4c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc5nc34)n2)cc1
• InChI: InChI=1S/C65H47N5Si2/c1-8-25-48(26-9-1)59-47-60(49-27-24-40-56(45-49)71(50-28-10-2-11-29-50,51-30-12-3-13-31-51)52-32-14-4-15-33-52)67-64(66-59)70-62-42-23-22-41-61(62)69-63-46-57(43-44-58(63)68-65(69)70)72(53-34-16-5-17-35-53,54-36-18-6-19-37-54)55-38-20-7-21-39-55/h1-47H
• InChIKey: SZINXTSKCYNDHF-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 48.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	954.30
LogP ≤ 5	9.31
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-[6-phenyl-2-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-6-yl)pyrimidin-4-yl]phenyl]silane?

The IUPAC name of triphenyl-[3-[6-phenyl-2-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-6-yl)pyrimidin-4-yl]phenyl]silane (CID 168826574) is triphenyl-[3-[6-phenyl-2-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-6-yl)pyrimidin-4-yl]phenyl]silane.

What is the SMILES notation for triphenyl-[3-[6-phenyl-2-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-6-yl)pyrimidin-4-yl]phenyl]silane?

The canonical SMILES for triphenyl-[3-[6-phenyl-2-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-6-yl)pyrimidin-4-yl]phenyl]silane is c1ccc(-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4n4c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc5nc34)n2)cc1.

What is the InChIKey of triphenyl-[3-[6-phenyl-2-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-6-yl)pyrimidin-4-yl]phenyl]silane?

The InChIKey is SZINXTSKCYNDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47N5Si2/c1-8-25-48(26-9-1)59-47-60(49-27-24-40-56(45-49)71(50-28-10-2-11-29-50,51-30-12-3-13-31-51)52-32-14-4-15-33-52)67-64(66-59)70-62-42-23-22-41-61(62)69-63-46-57(43-44-58(63)68-65(69)70)72(53-34-16-5-17-35-53,54-36-18-6-19-37-54)55-38-20-7-21-39-55/h1-47H.

What are the key properties of triphenyl-[3-[6-phenyl-2-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-6-yl)pyrimidin-4-yl]phenyl]silane?

triphenyl-[3-[6-phenyl-2-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-6-yl)pyrimidin-4-yl]phenyl]silane has a molecular weight of 954.30 g/mol, XLogP of 9.31, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[6-phenyl-2-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-6-yl)pyrimidin-4-yl]phenyl]silane is sourced from PubChem (CID 168826574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).