(NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium

C31H25N3O5V — CID 170896537

IUPAC(NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium
SMILESO/C(=N\N=C/c1c(O)ccc2ccccc12)c1ccccc1.O=C(c1ccccc1)N(O)c1ccccc1.O=[V]
InChIInChI=1S/C18H14N2O2.C13H11NO2.O.V/c21-17-11-10-13-6-4-5-9-15(13)16(17)12-19-20-18(22)14-7-2-1-3-8-14;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;/h1-12,21H,(H,20,22);1-10,16H;;/b19-12-;;;
InChIKeyMEILOJASNUASQX-AOEYRECCSA-N
MW570.50 g/mol
LogP6.49
Rot. Bonds5

About (NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium

(NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium (PubChem CID 170896537) has the molecular formula C31H25N3O5V and a molecular weight of 570.50 g/mol. Its IUPAC name is (NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium.

Molecular Properties

Compound Name(NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium
PubChem CID170896537
Molecular FormulaC31H25N3O5V
Molecular Weight570.50 g/mol
Exact Mass570.12
IUPAC Name(NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium
SMILESO/C(=N\N=C/c1c(O)ccc2ccccc12)c1ccccc1.O=C(c1ccccc1)N(O)c1ccccc1.O=[V]
InChIInChI=1S/C18H14N2O2.C13H11NO2.O.V/c21-17-11-10-13-6-4-5-9-15(13)16(17)12-19-20-18(22)14-7-2-1-3-8-14;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;/h1-12,21H,(H,20,22);1-10,16H;;/b19-12-;;;
InChIKeyMEILOJASNUASQX-AOEYRECCSA-N
XLogP6.49
TPSA122.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.50
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 136907701
N-hydroxy-N-phenylbenzamide;tungsten
CID 159148219
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135458877
methyl N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamimidothioate iodide
CID 135777394
N-[1-[4-(dimethylamino)phenyl]-3-[2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 3096619
chloroform;(NZ,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonate;ruthenium(3+);bis(triphenylarsane);dichloride
CID 139167776
4-(dimethylamino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135465938
N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide
CID 3850135
4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136737019
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819

Frequently Asked Questions

What is the IUPAC name of (NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium?
The IUPAC name of (NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium (CID 170896537) is (NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium.
What is the SMILES notation for (NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium?
The canonical SMILES for (NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium is O/C(=N\N=C/c1c(O)ccc2ccccc12)c1ccccc1.O=C(c1ccccc1)N(O)c1ccccc1.O=[V].
What is the InChIKey of (NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium?
The InChIKey is MEILOJASNUASQX-AOEYRECCSA-N. The full InChI is InChI=1S/C18H14N2O2.C13H11NO2.O.V/c21-17-11-10-13-6-4-5-9-15(13)16(17)12-19-20-18(22)14-7-2-1-3-8-14;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;/h1-12,21H,(H,20,22);1-10,16H;;/b19-12-;;;.
What are the key properties of (NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium?
(NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium has a molecular weight of 570.50 g/mol, XLogP of 6.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,Z)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenecarbohydrazonic acid;N-hydroxy-N-phenylbenzamide;oxovanadium is sourced from PubChem (CID 170896537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).