N-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline

C26H22N4 — CID 146304249

IUPACN-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline
SMILESC(=N/Nc1ccccc1)\c1ccc(-c2ccc(/C=N/Nc3ccccc3)cc2)cc1
InChIInChI=1S/C26H22N4/c1-3-7-25(8-4-1)29-27-19-21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-28-30-26-9-5-2-6-10-26/h1-20,29-30H/b27-19+,28-20+
InChIKeyXVBYDXQAABOXFU-MKYUKRCKSA-N
MW390.49 g/mol
LogP6.25
Rot. Bonds7

About N-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline

N-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline (PubChem CID 146304249) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline
PubChem CID146304249
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC NameN-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline
SMILESC(=N/Nc1ccccc1)\c1ccc(-c2ccc(/C=N/Nc3ccccc3)cc2)cc1
InChIInChI=1S/C26H22N4/c1-3-7-25(8-4-1)29-27-19-21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-28-30-26-9-5-2-6-10-26/h1-20,29-30H/b27-19+,28-20+
InChIKeyXVBYDXQAABOXFU-MKYUKRCKSA-N
XLogP6.25
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.25
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 N-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline?
The IUPAC name of N-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline (CID 146304249) is N-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline is C(=N/Nc1ccccc1)\c1ccc(-c2ccc(/C=N/Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline?
The InChIKey is XVBYDXQAABOXFU-MKYUKRCKSA-N. The full InChI is InChI=1S/C26H22N4/c1-3-7-25(8-4-1)29-27-19-21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-28-30-26-9-5-2-6-10-26/h1-20,29-30H/b27-19+,28-20+.
What are the key properties of N-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline?
N-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline has a molecular weight of 390.49 g/mol, XLogP of 6.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[4-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline is sourced from PubChem (CID 146304249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).