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

C58H64N4OSi — CID 140865317

About 2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(4-phenyl-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-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 140865317) has the molecular formula C58H64N4OSi and a molecular weight of 861.26 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(4-phenyl-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-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
• PubChem CID: 140865317
• Molecular Formula: C58H64N4OSi
• Molecular Weight: 861.26 g/mol
• Exact Mass: 860.48
• IUPAC Name: 2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(4-phenyl-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(-c4cc(-c5ccccc5)c([Si](C)(C)C)cn4)c3)ccnc21
• InChI: InChI=1S/C58H64N4OSi/c1-36(2)44-25-20-26-45(37(3)4)53(44)62-55(48-32-43(57(5,6)7)33-49(54(48)63)58(8,9)10)61-52-46(27-28-59-56(52)62)41-29-40(38-21-16-14-17-22-38)30-42(31-41)50-34-47(39-23-18-15-19-24-39)51(35-60-50)64(11,12)13/h14-37,63H,1-13H3
• InChIKey: DAVSUFUJSNUFNW-UHFFFAOYSA-N
• XLogP: 15.24
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	861.26
LogP ≤ 5	15.24
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-(4-phenyl-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-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol (CID 140865317) is 2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-7-[3-phenyl-5-(4-phenyl-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-(4-phenyl-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-(4-phenyl-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(-c4cc(-c5ccccc5)c([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-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol?

The InChIKey is DAVSUFUJSNUFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H64N4OSi/c1-36(2)44-25-20-26-45(37(3)4)53(44)62-55(48-32-43(57(5,6)7)33-49(54(48)63)58(8,9)10)61-52-46(27-28-59-56(52)62)41-29-40(38-21-16-14-17-22-38)30-42(31-41)50-34-47(39-23-18-15-19-24-39)51(35-60-50)64(11,12)13/h14-37,63H,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-(4-phenyl-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-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 861.26 g/mol, XLogP of 15.24, 9 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-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 140865317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).