4-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol

C46H48N4OSi — CID 140864551

About 4-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol

4-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 140864551) has the molecular formula C46H48N4OSi and a molecular weight of 701.00 g/mol. Its IUPAC name is 4-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol
• PubChem CID: 140864551
• Molecular Formula: C46H48N4OSi
• Molecular Weight: 701.00 g/mol
• Exact Mass: 700.36
• IUPAC Name: 4-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)c([Si](C)(C)C)cn2)cc(-c2ccnc3c2nc(-c2cc(C(C)(C)C)ccc2O)n3-c2ccccc2)c1
• InChI: InChI=1S/C46H48N4OSi/c1-45(2,3)33-20-21-40(51)38(27-33)43-49-42-36(22-23-47-44(42)50(43)35-18-14-11-15-19-35)31-24-32(26-34(25-31)46(4,5)6)39-28-37(30-16-12-10-13-17-30)41(29-48-39)52(7,8)9/h10-29,51H,1-9H3
• InChIKey: XUSCLDWSAAKAQL-UHFFFAOYSA-N
• XLogP: 11.33
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.00
LogP ≤ 5	11.33
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-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol?

The IUPAC name of 4-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol (CID 140864551) is 4-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol.

What is the SMILES notation for 4-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol?

The canonical SMILES for 4-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol is CC(C)(C)c1cc(-c2cc(-c3ccccc3)c([Si](C)(C)C)cn2)cc(-c2ccnc3c2nc(-c2cc(C(C)(C)C)ccc2O)n3-c2ccccc2)c1.

What is the InChIKey of 4-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol?

The InChIKey is XUSCLDWSAAKAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N4OSi/c1-45(2,3)33-20-21-40(51)38(27-33)43-49-42-36(22-23-47-44(42)50(43)35-18-14-11-15-19-35)31-24-32(26-34(25-31)46(4,5)6)39-28-37(30-16-12-10-13-17-30)41(29-48-39)52(7,8)9/h10-29,51H,1-9H3.

What are the key properties of 4-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol?

4-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 701.00 g/mol, XLogP of 11.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 140864551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).