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

C28H20N2O2 — CID 6382162

IUPAC(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N/N=C(/C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20N2O2/c31-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29-30-26(22-15-7-2-8-16-22)28(32)24-19-11-4-12-20-24/h1-20H/b29-25+,30-26+
InChIKeyKTIVNHNHGQMXFP-XDHTVYJESA-N
MW416.48 g/mol
LogP5.65
Rot. Bonds7

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

(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethanone (PubChem CID 6382162) has the molecular formula C28H20N2O2 and a molecular weight of 416.48 g/mol. Its IUPAC name is (2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethanone
PubChem CID6382162
Molecular FormulaC28H20N2O2
Molecular Weight416.48 g/mol
Exact Mass416.15
IUPAC Name(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N/N=C(/C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20N2O2/c31-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29-30-26(22-15-7-2-8-16-22)28(32)24-19-11-4-12-20-24/h1-20H/b29-25+,30-26+
InChIKeyKTIVNHNHGQMXFP-XDHTVYJESA-N
XLogP5.65
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.65
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'}

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

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Related Compounds

Hydrazonodeoxybenzoin
CID 5538956
(1E)-1,2-Diphenyl-1,2-ethanedione 1-oxime
CID 6399014
(2Z)-2-hydrazinylidene-1,2-diphenylethanone
CID 5370734
Ethanone, diazodiphenyl-
CID 137954
Benzil (Z)-monoxime
CID 6398987
1,2,3,3-Tetraphenylprop-2-en-1-one
CID 236370
Dibenzoyldiazomethane
CID 569580
2-Butene-1,4-dione, 1,2,3,4-tetraphenyl-, (Z)-
CID 5355553
2-Butene-1,4-dione, 2,3-dibenzoyl-1,4-diphenyl-
CID 1238870
2-Hydrazinylidene-1,2-diphenylethanone
CID 79289
4,4'-Difluorobenzil monohydrazone
CID 85443296
beta-Benzilmonoxime
CID 6419297

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethanone (CID 6382162) is (2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethanone is O=C(/C(=N/N=C(/C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethanone?
The InChIKey is KTIVNHNHGQMXFP-XDHTVYJESA-N. The full InChI is InChI=1S/C28H20N2O2/c31-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)29-30-26(22-15-7-2-8-16-22)28(32)24-19-11-4-12-20-24/h1-20H/b29-25+,30-26+.
What are the key properties of (2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethanone?
(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethanone has a molecular weight of 416.48 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 6382162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).