4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol

C52H52N4OSi — CID 140864477

About 4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol

4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol (PubChem CID 140864477) has the molecular formula C52H52N4OSi and a molecular weight of 777.10 g/mol. Its IUPAC name is 4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
• PubChem CID: 140864477
• Molecular Formula: C52H52N4OSi
• Molecular Weight: 777.10 g/mol
• Exact Mass: 776.39
• IUPAC Name: 4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
• SMILES: CC(C)(C)c1cc(C(C)(C)C)c(O)c(-c2nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccccc6)c([Si](C)(C)C)cn5)c4)cccc3n2-c2ccccc2)n1
• InChI: InChI=1S/C52H52N4OSi/c1-51(2,3)42-32-46(52(4,5)6)54-48(49(42)57)50-55-47-40(26-19-27-44(47)56(50)39-24-17-12-18-25-39)37-28-36(34-20-13-10-14-21-34)29-38(30-37)43-31-41(35-22-15-11-16-23-35)45(33-53-43)58(7,8)9/h10-33,57H,1-9H3
• InChIKey: DRPVZICMOBRWQT-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.10
LogP ≤ 5	13.00
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 4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol?

The IUPAC name of 4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol (CID 140864477) is 4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol.

What is the SMILES notation for 4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol?

The canonical SMILES for 4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol is CC(C)(C)c1cc(C(C)(C)C)c(O)c(-c2nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccccc6)c([Si](C)(C)C)cn5)c4)cccc3n2-c2ccccc2)n1.

What is the InChIKey of 4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol?

The InChIKey is DRPVZICMOBRWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H52N4OSi/c1-51(2,3)42-32-46(52(4,5)6)54-48(49(42)57)50-55-47-40(26-19-27-44(47)56(50)39-24-17-12-18-25-39)37-28-36(34-20-13-10-14-21-34)29-38(30-37)43-31-41(35-22-15-11-16-23-35)45(33-53-43)58(7,8)9/h10-33,57H,1-9H3.

What are the key properties of 4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol?

4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol has a molecular weight of 777.10 g/mol, XLogP of 13.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol is sourced from PubChem (CID 140864477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).