(2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

C22H18N2O2 — CID 6908452

IUPAC(2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESCOc1ccc(/C=N/N=C(\C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c1-26-20-14-12-17(13-15-20)16-23-24-21(18-8-4-2-5-9-18)22(25)19-10-6-3-7-11-19/h2-16H,1H3/b23-16+,24-21-
InChIKeyKVGOEHTWZCNZFZ-TUHQPYOXSA-N
MW342.40 g/mol
LogP4.40
Rot. Bonds6

About (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

(2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 6908452) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID6908452
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESCOc1ccc(/C=N/N=C(\C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c1-26-20-14-12-17(13-15-20)16-23-24-21(18-8-4-2-5-9-18)22(25)19-10-6-3-7-11-19/h2-16H,1H3/b23-16+,24-21-
InChIKeyKVGOEHTWZCNZFZ-TUHQPYOXSA-N
XLogP4.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (CID 6908452) is (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is COc1ccc(/C=N/N=C(\C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is KVGOEHTWZCNZFZ-TUHQPYOXSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-26-20-14-12-17(13-15-20)16-23-24-21(18-8-4-2-5-9-18)22(25)19-10-6-3-7-11-19/h2-16H,1H3/b23-16+,24-21-.
What are the key properties of (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
(2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 342.40 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 6908452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).