1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine

C30H24F3N — CID 102223669

IUPAC1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine
SMILESC=C(CC(N=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H24F3N/c1-22(23-17-19-27(20-18-23)30(31,32)33)21-28(24-11-5-2-6-12-24)34-29(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20,28H,1,21H2
InChIKeyRTIGBGXDEPEJSE-UHFFFAOYSA-N
MW455.52 g/mol
LogP8.39
Rot. Bonds7

About 1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine

1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine (PubChem CID 102223669) has the molecular formula C30H24F3N and a molecular weight of 455.52 g/mol. Its IUPAC name is 1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine.

Molecular Properties

Compound Name1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine
PubChem CID102223669
Molecular FormulaC30H24F3N
Molecular Weight455.52 g/mol
Exact Mass455.19
IUPAC Name1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine
SMILESC=C(CC(N=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H24F3N/c1-22(23-17-19-27(20-18-23)30(31,32)33)21-28(24-11-5-2-6-12-24)34-29(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20,28H,1,21H2
InChIKeyRTIGBGXDEPEJSE-UHFFFAOYSA-N
XLogP8.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
CID 101352816
CID 101352816
N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
CID 2317227
N-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine
CID 102223674
methyl 3-(benzhydrylideneamino)-3-(4-tert-butylphenyl)propanoate
CID 164888029
N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11779029
(1R)-1,3-diphenylbut-3-en-1-ol
CID 101158023
3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 68849939
2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate
CID 101401205
1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine
CID 10728924
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 101378731
2-methylprop-2-enoic acid;trifluoromethylbenzene
CID 175145896

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine?
The IUPAC name of 1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine (CID 102223669) is 1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine.
What is the SMILES notation for 1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine?
The canonical SMILES for 1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine is C=C(CC(N=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine?
The InChIKey is RTIGBGXDEPEJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N/c1-22(23-17-19-27(20-18-23)30(31,32)33)21-28(24-11-5-2-6-12-24)34-29(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20,28H,1,21H2.
What are the key properties of 1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine?
1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine has a molecular weight of 455.52 g/mol, XLogP of 8.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine is sourced from PubChem (CID 102223669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).