3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline

C26H20F2N4 — CID 146304258

IUPAC3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
SMILESFc1cccc(N/N=C/c2ccc(-c3ccc(/C=N/Nc4cccc(F)c4)cc3)cc2)c1
InChIInChI=1S/C26H20F2N4/c27-23-3-1-5-25(15-23)31-29-17-19-7-11-21(12-8-19)22-13-9-20(10-14-22)18-30-32-26-6-2-4-24(28)16-26/h1-18,31-32H/b29-17+,30-18+
InChIKeyNUBWJTGZTKRMED-YAGSLNJISA-N
MW426.47 g/mol
LogP6.52
Rot. Bonds7

About 3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline

3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline (PubChem CID 146304258) has the molecular formula C26H20F2N4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
PubChem CID146304258
Molecular FormulaC26H20F2N4
Molecular Weight426.47 g/mol
Exact Mass426.17
IUPAC Name3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
SMILESFc1cccc(N/N=C/c2ccc(-c3ccc(/C=N/Nc4cccc(F)c4)cc3)cc2)c1
InChIInChI=1S/C26H20F2N4/c27-23-3-1-5-25(15-23)31-29-17-19-7-11-21(12-8-19)22-13-9-20(10-14-22)18-30-32-26-6-2-4-24(28)16-26/h1-18,31-32H/b29-17+,30-18+
InChIKeyNUBWJTGZTKRMED-YAGSLNJISA-N
XLogP6.52
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline?
The IUPAC name of 3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline (CID 146304258) is 3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline.
What is the SMILES notation for 3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline?
The canonical SMILES for 3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline is Fc1cccc(N/N=C/c2ccc(-c3ccc(/C=N/Nc4cccc(F)c4)cc3)cc2)c1.
What is the InChIKey of 3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline?
The InChIKey is NUBWJTGZTKRMED-YAGSLNJISA-N. The full InChI is InChI=1S/C26H20F2N4/c27-23-3-1-5-25(15-23)31-29-17-19-7-11-21(12-8-19)22-13-9-20(10-14-22)18-30-32-26-6-2-4-24(28)16-26/h1-18,31-32H/b29-17+,30-18+.
What are the key properties of 3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline?
3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline has a molecular weight of 426.47 g/mol, XLogP of 6.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(E)-[4-[4-[(E)-[(3-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline is sourced from PubChem (CID 146304258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).