2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline

C26H20Cl2N4 — CID 134868653

IUPAC2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline
SMILESClc1ccc(Nc2ccccc2/C=N\N=C/c2ccccc2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H20Cl2N4/c27-21-9-13-23(14-10-21)31-25-7-3-1-5-19(25)17-29-30-18-20-6-2-4-8-26(20)32-24-15-11-22(28)12-16-24/h1-18,31-32H/b29-17-,30-18-
InChIKeyPSEAYKXKXGVOIC-LZUTUTKMSA-N
MW459.38 g/mol
LogP7.93
Rot. Bonds7

About 2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline

2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline (PubChem CID 134868653) has the molecular formula C26H20Cl2N4 and a molecular weight of 459.38 g/mol. Its IUPAC name is 2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline.

Molecular Properties

Compound Name2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline
PubChem CID134868653
Molecular FormulaC26H20Cl2N4
Molecular Weight459.38 g/mol
Exact Mass458.11
IUPAC Name2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline
SMILESClc1ccc(Nc2ccccc2/C=N\N=C/c2ccccc2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H20Cl2N4/c27-21-9-13-23(14-10-21)31-25-7-3-1-5-19(25)17-29-30-18-20-6-2-4-8-26(20)32-24-15-11-22(28)12-16-24/h1-18,31-32H/b29-17-,30-18-
InChIKeyPSEAYKXKXGVOIC-LZUTUTKMSA-N
XLogP7.93
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.38
LogP ≤ 57.93
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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Related Compounds

1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
CID 22968513
N-phenyl-2-(phenyliminomethyl)aniline
CID 21342734
2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline
CID 102395036
2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 3753307
N-(4-chlorophenyl)-2-propan-2-ylaniline
CID 82536589
3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine
CID 104834042
1-N,3-N-bis[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]benzene-1,3-diamine
CID 102530043
6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109128614
N-(4-chlorophenyl)-4-iodonaphthalen-1-amine
CID 170664494
4-chloro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108767264
4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine
CID 112865740
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
CID 6161305

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline?
The IUPAC name of 2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline (CID 134868653) is 2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline.
What is the SMILES notation for 2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline?
The canonical SMILES for 2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline is Clc1ccc(Nc2ccccc2/C=N\N=C/c2ccccc2Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline?
The InChIKey is PSEAYKXKXGVOIC-LZUTUTKMSA-N. The full InChI is InChI=1S/C26H20Cl2N4/c27-21-9-13-23(14-10-21)31-25-7-3-1-5-19(25)17-29-30-18-20-6-2-4-8-26(20)32-24-15-11-22(28)12-16-24/h1-18,31-32H/b29-17-,30-18-.
What are the key properties of 2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline?
2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline has a molecular weight of 459.38 g/mol, XLogP of 7.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline is sourced from PubChem (CID 134868653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).