2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol

C52H60N4OSi — CID 140864969

About 2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol

2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 140864969) has the molecular formula C52H60N4OSi and a molecular weight of 785.17 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
• PubChem CID: 140864969
• Molecular Formula: C52H60N4OSi
• Molecular Weight: 785.17 g/mol
• Exact Mass: 784.45
• IUPAC Name: 2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cc(-c4ccccc4)cc(-c4ccc([Si](C)(C)C)cn4)c3)ccnc21
• InChI: InChI=1S/C52H60N4OSi/c1-32(2)40-20-17-21-41(33(3)4)47(40)56-49(43-29-38(51(5,6)7)30-44(48(43)57)52(8,9)10)55-46-42(24-25-53-50(46)56)36-26-35(34-18-15-14-16-19-34)27-37(28-36)45-23-22-39(31-54-45)58(11,12)13/h14-33,57H,1-13H3
• InChIKey: UVRAYONHUVIDCH-UHFFFAOYSA-N
• XLogP: 13.58
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.17
LogP ≤ 5	13.58
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 2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol?

The IUPAC name of 2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol (CID 140864969) is 2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol.

What is the SMILES notation for 2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol?

The canonical SMILES for 2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol is CC(C)c1cccc(C(C)C)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cc(-c4ccccc4)cc(-c4ccc([Si](C)(C)C)cn4)c3)ccnc21.

What is the InChIKey of 2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol?

The InChIKey is UVRAYONHUVIDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H60N4OSi/c1-32(2)40-20-17-21-41(33(3)4)47(40)56-49(43-29-38(51(5,6)7)30-44(48(43)57)52(8,9)10)55-46-42(24-25-53-50(46)56)36-26-35(34-18-15-14-16-19-34)27-37(28-36)45-23-22-39(31-54-45)58(11,12)13/h14-33,57H,1-13H3.

What are the key properties of 2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol?

2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 785.17 g/mol, XLogP of 13.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 140864969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).