(E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine

C25H25F3NOP — CID 11487569

IUPAC(E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\P(=O)(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H25F3NOP/c1-16-10-17(2)13-23(12-16)31(30,24-14-18(3)11-19(4)15-24)29-20(5)21-6-8-22(9-7-21)25(26,27)28/h6-15H,1-5H3/b29-20+
InChIKeyJQMIIMBSNITMLT-ZTKZIYFRSA-N
MW443.45 g/mol
LogP6.68
Rot. Bonds4

About (E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine

(E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 11487569) has the molecular formula C25H25F3NOP and a molecular weight of 443.45 g/mol. Its IUPAC name is (E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name(E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine
PubChem CID11487569
Molecular FormulaC25H25F3NOP
Molecular Weight443.45 g/mol
Exact Mass443.16
IUPAC Name(E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\P(=O)(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H25F3NOP/c1-16-10-17(2)13-23(12-16)31(30,24-14-18(3)11-19(4)15-24)29-20(5)21-6-8-22(9-7-21)25(26,27)28/h6-15H,1-5H3/b29-20+
InChIKeyJQMIIMBSNITMLT-ZTKZIYFRSA-N
XLogP6.68
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.45
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-N-diphenylphosphoryloxy-1-(2-fluorophenyl)ethanimine
CID 153522001
N-(diphenylphosphinyl)acetophenoneimine
CID 85073507
(E)-N-diphenylphosphoryl-1-phenylethanimine
CID 9944887
(E)-N-diphenylphosphoryl-1-phenylpropan-1-imine
CID 13736338
(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]methanimine
CID 13431939
(E)-N-diphenylphosphoryl-1-(4-fluorophenyl)ethanimine
CID 44178551
(E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine
CID 71528482
(4-Methylphenyl)-[2-phenyl-5-(trifluoromethyl)phenyl]methanimine
CID 135008482
(E)-N-diphenylphosphinothioyl-1-(2-fluorophenyl)ethanimine
CID 135071957
(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-(4-fluorophenyl)methanimine
CID 135076564
(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 135079886
(E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine
CID 162411972

Frequently Asked Questions

What is the IUPAC name of (E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of (E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine (CID 11487569) is (E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for (E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for (E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine is C/C(=N\P(=O)(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is JQMIIMBSNITMLT-ZTKZIYFRSA-N. The full InChI is InChI=1S/C25H25F3NOP/c1-16-10-17(2)13-23(12-16)31(30,24-14-18(3)11-19(4)15-24)29-20(5)21-6-8-22(9-7-21)25(26,27)28/h6-15H,1-5H3/b29-20+.
What are the key properties of (E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine?
(E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 443.45 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 11487569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).