(E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine

C39H32F3N3O2 — CID 118954283

About (E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine

(E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine (PubChem CID 118954283) has the molecular formula C39H32F3N3O2 and a molecular weight of 631.70 g/mol. Its IUPAC name is (E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine.

Molecular Properties

• Compound Name: (E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine
• PubChem CID: 118954283
• Molecular Formula: C39H32F3N3O2
• Molecular Weight: 631.70 g/mol
• Exact Mass: 631.24
• IUPAC Name: (E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine
• SMILES: C/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(OCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1
• InChI: InChI=1S/C39H32F3N3O2/c1-29(44-47-26-30-17-21-35(22-18-30)39(40,41)42)31-19-23-37(24-20-31)46-27-36-25-45(28-43-36)38(32-11-5-2-6-12-32,33-13-7-3-8-14-33)34-15-9-4-10-16-34/h2-25,28H,26-27H2,1H3/b44-29+
• InChIKey: KUTDNZLMAAGWTP-MHIAAIFOSA-N
• XLogP: 9.26
• TPSA: 48.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.70
LogP ≤ 5	9.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine?

The IUPAC name of (E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine (CID 118954283) is (E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine.

What is the SMILES notation for (E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine?

The canonical SMILES for (E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine is C/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(OCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1.

What is the InChIKey of (E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine?

The InChIKey is KUTDNZLMAAGWTP-MHIAAIFOSA-N. The full InChI is InChI=1S/C39H32F3N3O2/c1-29(44-47-26-30-17-21-35(22-18-30)39(40,41)42)31-19-23-37(24-20-31)46-27-36-25-45(28-43-36)38(32-11-5-2-6-12-32,33-13-7-3-8-14-33)34-15-9-4-10-16-34/h2-25,28H,26-27H2,1H3/b44-29+.

What are the key properties of (E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine?

(E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine has a molecular weight of 631.70 g/mol, XLogP of 9.26, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine is sourced from PubChem (CID 118954283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).