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

C39H32F3N3O2 — CID 140707689

IUPACN-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine
SMILESCC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc(OCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1
InChIInChI=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
InChIKeyKUTDNZLMAAGWTP-UHFFFAOYSA-N
MW631.70 g/mol
LogP9.26
Rot. Bonds11

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

N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine (PubChem CID 140707689) has the molecular formula C39H32F3N3O2 and a molecular weight of 631.70 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine
PubChem CID140707689
Molecular FormulaC39H32F3N3O2
Molecular Weight631.70 g/mol
Exact Mass631.24
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine
SMILESCC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc(OCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1
InChIInChI=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
InChIKeyKUTDNZLMAAGWTP-UHFFFAOYSA-N
XLogP9.26
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.70
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine
CID 118954283
1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone
CID 154136701
(E)-1-[4-(triazol-2-ylmethoxy)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118248780
2-[5-[[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]methyl]tetrazol-2-yl]ethanol
CID 118248832
(E)-1-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118248793
(E)-1-(4-prop-2-ynoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118954273
2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]acetonitrile
CID 118238868
3-methyl-1-[4-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]butan-2-one
CID 123786679
1-[[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]methyl]pyrrolidine-2,5-dione
CID 118238893
1-[[4-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]methyl]pyrrolidine-2,5-dione
CID 118954254
[(E)-N-hydroxy-C-[[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]methyl]carbonimidoyl]carbamic acid
CID 137002254
1-(4-ethoxyphenyl)-N-phenylmethoxyethanimine
CID 141463783

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine (CID 140707689) is N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine is CC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc(OCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine?
The InChIKey is KUTDNZLMAAGWTP-UHFFFAOYSA-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.
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine?
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 N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine is sourced from PubChem (CID 140707689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).