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

C47H58N4OSi — CID 140865177

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

2,4-ditert-butyl-6-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 140865177) has the molecular formula C47H58N4OSi and a molecular weight of 723.09 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl]phenol
• PubChem CID: 140865177
• Molecular Formula: C47H58N4OSi
• Molecular Weight: 723.09 g/mol
• Exact Mass: 722.44
• IUPAC Name: 2,4-ditert-butyl-6-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl]phenol
• SMILES: CC(C)n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cc(-c4cc(-c5ccccc5)c([Si](C)(C)C)cn4)cc(C(C)(C)C)c3)ccnc21
• InChI: InChI=1S/C47H58N4OSi/c1-29(2)51-43(37-25-34(46(6,7)8)26-38(42(37)52)47(9,10)11)50-41-35(20-21-48-44(41)51)31-22-32(24-33(23-31)45(3,4)5)39-27-36(30-18-16-15-17-19-30)40(28-49-39)53(12,13)14/h15-29,52H,1-14H3
• InChIKey: OLOYWHSRWHAEAS-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.09
LogP ≤ 5	12.22
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-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl]phenol?

The IUPAC name of 2,4-ditert-butyl-6-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl]phenol (CID 140865177) is 2,4-ditert-butyl-6-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl]phenol.

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

The canonical SMILES for 2,4-ditert-butyl-6-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl]phenol is CC(C)n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cc(-c4cc(-c5ccccc5)c([Si](C)(C)C)cn4)cc(C(C)(C)C)c3)ccnc21.

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

The InChIKey is OLOYWHSRWHAEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H58N4OSi/c1-29(2)51-43(37-25-34(46(6,7)8)26-38(42(37)52)47(9,10)11)50-41-35(20-21-48-44(41)51)31-22-32(24-33(23-31)45(3,4)5)39-27-36(30-18-16-15-17-19-30)40(28-49-39)53(12,13)14/h15-29,52H,1-14H3.

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

2,4-ditert-butyl-6-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 723.09 g/mol, XLogP of 12.22, 6 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-[7-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 140865177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).