2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone

C22H18N4O2 — CID 2749285

IUPAC2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone
SMILESO=C(C=NNc1ccccc1)c1ccc(C(=O)C=NNc2ccccc2)cc1
InChIInChI=1S/C22H18N4O2/c27-21(15-23-25-19-7-3-1-4-8-19)17-11-13-18(14-12-17)22(28)16-24-26-20-9-5-2-6-10-20/h1-16,25-26H
InChIKeyUDYKGAPTZNMEDF-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.25
Rot. Bonds8

About 2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone

2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone (PubChem CID 2749285) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone.

Molecular Properties

Compound Name2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone
PubChem CID2749285
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone
SMILESO=C(C=NNc1ccccc1)c1ccc(C(=O)C=NNc2ccccc2)cc1
InChIInChI=1S/C22H18N4O2/c27-21(15-23-25-19-7-3-1-4-8-19)17-11-13-18(14-12-17)22(28)16-24-26-20-9-5-2-6-10-20/h1-16,25-26H
InChIKeyUDYKGAPTZNMEDF-UHFFFAOYSA-N
XLogP4.25
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[3-nitro-4-[2-(phenylhydrazinylidene)acetyl]phenyl]-2-(phenylhydrazinylidene)ethanone
CID 2749292
N-hydroxy-2,5-bis[2-(phenylhydrazinylidene)acetyl]benzeneamine oxide
CID 163177552
ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
CID 90967313
azane;2-hydroxyimino-1-phenylethanone
CID 172864672
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
2,3-bis(phenylhydrazinylidene)propanal
CID 6399152
formaldehyde;2-hydroxyimino-1-phenylethanone
CID 174600728
(1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride
CID 134879796
(2E)-N'-anilino-2-(phenylhydrazinylidene)ethanimidamide
CID 15309595
1-amino-3-[(E)-phenacylideneamino]urea
CID 163184752
N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide
CID 84582854
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408

Frequently Asked Questions

What is the IUPAC name of 2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone?
The IUPAC name of 2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone (CID 2749285) is 2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone.
What is the SMILES notation for 2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone?
The canonical SMILES for 2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone is O=C(C=NNc1ccccc1)c1ccc(C(=O)C=NNc2ccccc2)cc1.
What is the InChIKey of 2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone?
The InChIKey is UDYKGAPTZNMEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-21(15-23-25-19-7-3-1-4-8-19)17-11-13-18(14-12-17)22(28)16-24-26-20-9-5-2-6-10-20/h1-16,25-26H.
What are the key properties of 2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone?
2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone has a molecular weight of 370.41 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone is sourced from PubChem (CID 2749285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).