2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol

C65H66N4OSi — CID 176796279

About 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol

2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol (PubChem CID 176796279) has the molecular formula C65H66N4OSi and a molecular weight of 947.36 g/mol. Its IUPAC name is 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol
• PubChem CID: 176796279
• Molecular Formula: C65H66N4OSi
• Molecular Weight: 947.36 g/mol
• Exact Mass: 946.50
• IUPAC Name: 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc(-c3cccc4c3nc(-c3ccccc3O)n4-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)c2)nc2cc([Si](C)(C)C)ccc21
• InChI: InChI=1S/C65H66N4OSi/c1-40(2)53-35-48(44-22-14-12-15-23-44)36-54(41(3)4)62(53)68-58-33-32-50(71(9,10)11)39-57(58)66-64(68)47-27-20-26-46(34-47)51-29-21-30-59-61(51)67-65(52-28-18-19-31-60(52)70)69(59)63-55(42(5)6)37-49(38-56(63)43(7)8)45-24-16-13-17-25-45/h12-43,70H,1-11H3
• InChIKey: QWXXJWOYOWEIJN-UHFFFAOYSA-N
• XLogP: 17.44
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.36
LogP ≤ 5	17.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol?

The IUPAC name of 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol (CID 176796279) is 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol.

What is the SMILES notation for 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol?

The canonical SMILES for 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc(-c3cccc4c3nc(-c3ccccc3O)n4-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)c2)nc2cc([Si](C)(C)C)ccc21.

What is the InChIKey of 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol?

The InChIKey is QWXXJWOYOWEIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H66N4OSi/c1-40(2)53-35-48(44-22-14-12-15-23-44)36-54(41(3)4)62(53)68-58-33-32-50(71(9,10)11)39-57(58)66-64(68)47-27-20-26-46(34-47)51-29-21-30-59-61(51)67-65(52-28-18-19-31-60(52)70)69(59)63-55(42(5)6)37-49(38-56(63)43(7)8)45-24-16-13-17-25-45/h12-43,70H,1-11H3.

What are the key properties of 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol?

2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol has a molecular weight of 947.36 g/mol, XLogP of 17.44, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 176796279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).