N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine

C22H18FN — CID 122389221

IUPACN-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine
SMILESC/C(=N\C(=C\c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H18FN/c1-17(19-12-14-21(23)15-13-19)24-22(20-10-6-3-7-11-20)16-18-8-4-2-5-9-18/h2-16H,1H3/b22-16+,24-17+
InChIKeyRHAFDKOHFWYVJC-ITCUVKODSA-N
MW315.39 g/mol
LogP5.83
Rot. Bonds4

About N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine

N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine (PubChem CID 122389221) has the molecular formula C22H18FN and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine.

Molecular Properties

Compound NameN-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine
PubChem CID122389221
Molecular FormulaC22H18FN
Molecular Weight315.39 g/mol
Exact Mass315.14
IUPAC NameN-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine
SMILESC/C(=N\C(=C\c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H18FN/c1-17(19-12-14-21(23)15-13-19)24-22(20-10-6-3-7-11-20)16-18-8-4-2-5-9-18/h2-16H,1H3/b22-16+,24-17+
InChIKeyRHAFDKOHFWYVJC-ITCUVKODSA-N
XLogP5.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.39
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1,2-diphenylethenyl]-1-phenylethanimine
CID 14709228
1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine
CID 145462827
4-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 101071138
1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene
CID 72736917
(E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine
CID 71528482
1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine
CID 155049501
[1-(4-fluorophenyl)ethylideneamino]-trimethylazanium
CID 3943522
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine
CID 126661807
1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene
CID 44521359
N-(1,2-diphenylethenyldiazenyl)-N-propan-2-ylpropan-2-amine
CID 118609568
N-(2-methyl-1-phenylprop-1-enyl)-1-phenylethanimine
CID 144645391

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine?
The IUPAC name of N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine (CID 122389221) is N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine.
What is the SMILES notation for N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine?
The canonical SMILES for N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine is C/C(=N\C(=C\c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine?
The InChIKey is RHAFDKOHFWYVJC-ITCUVKODSA-N. The full InChI is InChI=1S/C22H18FN/c1-17(19-12-14-21(23)15-13-19)24-22(20-10-6-3-7-11-20)16-18-8-4-2-5-9-18/h2-16H,1H3/b22-16+,24-17+.
What are the key properties of N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine?
N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine has a molecular weight of 315.39 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine is sourced from PubChem (CID 122389221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).