2-[3-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]oxy-2-pyridinyl]-diphenylsilyl]phenoxy]phenol

C44H41N3O3Si — CID 140679590

About 2-[3-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]oxy-2-pyridinyl]-diphenylsilyl]phenoxy]phenol

2-[3-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]oxy-2-pyridinyl]-diphenylsilyl]phenoxy]phenol (PubChem CID 140679590) has the molecular formula C44H41N3O3Si and a molecular weight of 687.92 g/mol. Its IUPAC name is 2-[3-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]oxy-2-pyridinyl]-diphenylsilyl]phenoxy]phenol.

Molecular Properties

• Compound Name: 2-[3-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]oxy-2-pyridinyl]-diphenylsilyl]phenoxy]phenol
• PubChem CID: 140679590
• Molecular Formula: C44H41N3O3Si
• Molecular Weight: 687.92 g/mol
• Exact Mass: 687.29
• IUPAC Name: 2-[3-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]oxy-2-pyridinyl]-diphenylsilyl]phenoxy]phenol
• SMILES: CC(C)c1cccc(C(C)C)c1-n1ccnc1Oc1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc(Oc3ccccc3O)c2)n1
• InChI: InChI=1S/C44H41N3O3Si/c1-31(2)37-22-14-23-38(32(3)4)43(37)47-29-28-45-44(47)50-41-26-15-27-42(46-41)51(34-17-7-5-8-18-34,35-19-9-6-10-20-35)36-21-13-16-33(30-36)49-40-25-12-11-24-39(40)48/h5-32,48H,1-4H3
• InChIKey: UVUOMULUJMEDNQ-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 69.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.92
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]oxy-2-pyridinyl]-diphenylsilyl]phenoxy]phenol?

The IUPAC name of 2-[3-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]oxy-2-pyridinyl]-diphenylsilyl]phenoxy]phenol (CID 140679590) is 2-[3-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]oxy-2-pyridinyl]-diphenylsilyl]phenoxy]phenol.

What is the SMILES notation for 2-[3-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]oxy-2-pyridinyl]-diphenylsilyl]phenoxy]phenol?

The canonical SMILES for 2-[3-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]oxy-2-pyridinyl]-diphenylsilyl]phenoxy]phenol is CC(C)c1cccc(C(C)C)c1-n1ccnc1Oc1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc(Oc3ccccc3O)c2)n1.

What is the InChIKey of 2-[3-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]oxy-2-pyridinyl]-diphenylsilyl]phenoxy]phenol?

The InChIKey is UVUOMULUJMEDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H41N3O3Si/c1-31(2)37-22-14-23-38(32(3)4)43(37)47-29-28-45-44(47)50-41-26-15-27-42(46-41)51(34-17-7-5-8-18-34,35-19-9-6-10-20-35)36-21-13-16-33(30-36)49-40-25-12-11-24-39(40)48/h5-32,48H,1-4H3.

What are the key properties of 2-[3-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]oxy-2-pyridinyl]-diphenylsilyl]phenoxy]phenol?

2-[3-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]oxy-2-pyridinyl]-diphenylsilyl]phenoxy]phenol has a molecular weight of 687.92 g/mol, XLogP of 8.18, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]oxy-2-pyridinyl]-diphenylsilyl]phenoxy]phenol is sourced from PubChem (CID 140679590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).