2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone

C56H40N6O2 — CID 91614425

IUPAC2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone
SMILESO=C(C(=NN=C(C(=NN=C(C(=NN=C(C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C56H40N6O2/c63-55(47-37-21-7-22-38-47)53(45-33-17-5-18-34-45)61-59-51(43-29-13-3-14-30-43)49(41-25-9-1-10-26-41)57-58-50(42-27-11-2-12-28-42)52(44-31-15-4-16-32-44)60-62-54(46-35-19-6-20-36-46)56(64)48-39-23-8-24-40-48/h1-40H
InChIKeyZMKZWKWWUFMWKU-UHFFFAOYSA-N
MW828.98 g/mol
LogP11.43
Rot. Bonds15

About 2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone

2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone (PubChem CID 91614425) has the molecular formula C56H40N6O2 and a molecular weight of 828.98 g/mol. Its IUPAC name is 2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone
PubChem CID91614425
Molecular FormulaC56H40N6O2
Molecular Weight828.98 g/mol
Exact Mass828.32
IUPAC Name2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone
SMILESO=C(C(=NN=C(C(=NN=C(C(=NN=C(C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C56H40N6O2/c63-55(47-37-21-7-22-38-47)53(45-33-17-5-18-34-45)61-59-51(43-29-13-3-14-30-43)49(41-25-9-1-10-26-41)57-58-50(42-27-11-2-12-28-42)52(44-31-15-4-16-32-44)60-62-54(46-35-19-6-20-36-46)56(64)48-39-23-8-24-40-48/h1-40H
InChIKeyZMKZWKWWUFMWKU-UHFFFAOYSA-N
XLogP11.43
TPSA108.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.98
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

Analyze 2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethanone, diazodiphenyl-
CID 137954
(10E)-10-(benzhydrylidenehydrazinylidene)phenanthren-9-one
CID 5834467
2-(Cinnamylidenehydrazineylidene)-2-phenylacetophenone
CID 9688448
(2-(2-Oxo-1,2-diphenylethylidenehydrazinylidene)propyl)triphenylphosphonium BR
CID 45047987
(2-((Oxo-1,2-diphenyl-ethylidene)-hydrazono)-PR)-triphenyl-phosphonium, chloride
CID 126959574
(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethanone
CID 6382162
(2E)-2-diazo-1,2-diphenylethanone
CID 135932817
2,2'-Hydrazinediylidenebis(diphenylethan-1-one)
CID 275425
Benzil bis(ketazine)
CID 6070307
(2Z)-1,2-diphenyl-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]ethanone
CID 6246075
(Z)-2-[(E)-2-Benzylidenehydrazin-1-ylidene]-1,2-diphenylethanone
CID 6908437
(2Z,4Z)-1,2,5,6-tetrakis(4-methylphenyl)-3,4-diazahexa-2,4-diene-1,6-dione
CID 43835762

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of 2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone (CID 91614425) is 2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for 2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for 2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone is O=C(C(=NN=C(C(=NN=C(C(=NN=C(C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone?
The InChIKey is ZMKZWKWWUFMWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N6O2/c63-55(47-37-21-7-22-38-47)53(45-33-17-5-18-34-45)61-59-51(43-29-13-3-14-30-43)49(41-25-9-1-10-26-41)57-58-50(42-27-11-2-12-28-42)52(44-31-15-4-16-32-44)60-62-54(46-35-19-6-20-36-46)56(64)48-39-23-8-24-40-48/h1-40H.
What are the key properties of 2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone?
2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone has a molecular weight of 828.98 g/mol, XLogP of 11.43, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 91614425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).