(3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine

C32H28Cl2N4 — CID 134934129

IUPAC(3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine
SMILESCc1ccc(C(N)=C/C(=N/N=C(/C=C(/N)c2ccc(C)cc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C32H28Cl2N4/c1-21-3-7-23(8-4-21)29(35)19-31(25-11-15-27(33)16-12-25)37-38-32(26-13-17-28(34)18-14-26)20-30(36)24-9-5-22(2)6-10-24/h3-20H,35-36H2,1-2H3/b29-19+,30-20?,37-31-,38-32-
InChIKeyAYANMPFKFJXRFO-YJIDUCSFSA-N
MW539.51 g/mol
LogP7.80
Rot. Bonds7

About (3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine

(3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine (PubChem CID 134934129) has the molecular formula C32H28Cl2N4 and a molecular weight of 539.51 g/mol. Its IUPAC name is (3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine
PubChem CID134934129
Molecular FormulaC32H28Cl2N4
Molecular Weight539.51 g/mol
Exact Mass538.17
IUPAC Name(3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine
SMILESCc1ccc(C(N)=C/C(=N/N=C(/C=C(/N)c2ccc(C)cc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C32H28Cl2N4/c1-21-3-7-23(8-4-21)29(35)19-31(25-11-15-27(33)16-12-25)37-38-32(26-13-17-28(34)18-14-26)20-30(36)24-9-5-22(2)6-10-24/h3-20H,35-36H2,1-2H3/b29-19+,30-20?,37-31-,38-32-
InChIKeyAYANMPFKFJXRFO-YJIDUCSFSA-N
XLogP7.80
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.51
LogP ≤ 57.80
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'}

Analyze (3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine with MolForge

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Related Compounds

[(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+)
CID 87101615
1-chloro-4-methylbenzene;zinc
CID 174694335
1-chloro-4-methylbenzene;formic acid
CID 158103199
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 5372333
(E)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 21160961
(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 5376861
ethyl (Z)-3-amino-3-(4-methylphenyl)prop-2-enoate
CID 12021527
2-[(E)-[(2E)-1,5,5-tris(4-chlorophenyl)penta-2,4-dienylidene]amino]guanidine
CID 5475348
S-[(Z)-2-amino-2-(4-methylphenyl)ethenyl]thiohydroxylamine;ethane
CID 142052900
(Z)-N',N'-dimethyl-1-(4-methylphenyl)ethene-1,2-diamine
CID 149258743
[(E)-(4-methylphenyl)methylideneamino] 4-chlorobenzoate
CID 6894030
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine?
The IUPAC name of (3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine (CID 134934129) is (3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine.
What is the SMILES notation for (3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine?
The canonical SMILES for (3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine is Cc1ccc(C(N)=C/C(=N/N=C(/C=C(/N)c2ccc(C)cc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine?
The InChIKey is AYANMPFKFJXRFO-YJIDUCSFSA-N. The full InChI is InChI=1S/C32H28Cl2N4/c1-21-3-7-23(8-4-21)29(35)19-31(25-11-15-27(33)16-12-25)37-38-32(26-13-17-28(34)18-14-26)20-30(36)24-9-5-22(2)6-10-24/h3-20H,35-36H2,1-2H3/b29-19+,30-20?,37-31-,38-32-.
What are the key properties of (3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine?
(3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine has a molecular weight of 539.51 g/mol, XLogP of 7.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-[(E)-3-amino-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]hydrazinylidene]-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 134934129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).