(2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

C21H15N3O4 — CID 135775343

IUPAC(2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N\N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15N3O4/c25-19-12-11-18(24(27)28)13-17(19)14-22-23-20(15-7-3-1-4-8-15)21(26)16-9-5-2-6-10-16/h1-14,25H/b22-14-,23-20-
InChIKeyWCGKGNSXOGSYJN-JEKQIYOESA-N
MW373.37 g/mol
LogP4.01
Rot. Bonds6

About (2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

(2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 135775343) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is (2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID135775343
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name(2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N\N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15N3O4/c25-19-12-11-18(24(27)28)13-17(19)14-22-23-20(15-7-3-1-4-8-15)21(26)16-9-5-2-6-10-16/h1-14,25H/b22-14-,23-20-
InChIKeyWCGKGNSXOGSYJN-JEKQIYOESA-N
XLogP4.01
TPSA105.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenol
CID 135497970
2-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-1-nitroguanidine
CID 136693031
(2Z)-2-[(Z)-(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 6906648
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol
CID 177498703
1-(dihydroxyamino)-2-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]guanidine
CID 135822056
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 3807440
2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone
CID 86222058
4-nitro-2-[[(2S)-2-phenylpropyl]iminomethyl]phenol
CID 135596350
2-[[1-(4-nitrophenyl)ethylidenehydrazinylidene]methyl]phenol
CID 3815884
2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4111159
3-[(2Z)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 135775232
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
CID 3817140

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (CID 135775343) is (2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is O=C(/C(=N\N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is WCGKGNSXOGSYJN-JEKQIYOESA-N. The full InChI is InChI=1S/C21H15N3O4/c25-19-12-11-18(24(27)28)13-17(19)14-22-23-20(15-7-3-1-4-8-15)21(26)16-9-5-2-6-10-16/h1-14,25H/b22-14-,23-20-.
What are the key properties of (2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
(2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 373.37 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 135775343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).