ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));4-pyridin-4-ylpyridine;bis(vanadium)

C50H42N6O10V2-10 — CID 139049204

IUPACethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));4-pyridin-4-ylpyridine;bis(vanadium)
SMILESCC[O-].CC[O-].[O-2].[O-2].[O-]/C(=N\N=C\c1c([O-])ccc2ccccc12)c1ccccc1O.[O-]/C(=N\N=C\c1c([O-])ccc2ccccc12)c1ccccc1O.[V].[V].c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C18H14N2O3.C10H8N2.2C2H5O.2O.2V/c2*21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22;1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*1-2-3;;;;/h2*1-11,21-22H,(H,20,23);1-8H;2*2H2,1H3;;;;/q;;;2*-1;2*-2;;/p-4/b2*19-11+;;;;;;;
InChIKeyZWJMXPJLWBRNOF-WKWCZYEJSA-J
MW988.81 g/mol
LogP4.15
Rot. Bonds7

About ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));4-pyridin-4-ylpyridine;bis(vanadium)

ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));4-pyridin-4-ylpyridine;bis(vanadium) (PubChem CID 139049204) has the molecular formula C50H42N6O10V2-10 and a molecular weight of 988.81 g/mol. Its IUPAC name is ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));4-pyridin-4-ylpyridine;bis(vanadium).

Molecular Properties

Compound Nameethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));4-pyridin-4-ylpyridine;bis(vanadium)
PubChem CID139049204
Molecular FormulaC50H42N6O10V2-10
Molecular Weight988.81 g/mol
Exact Mass988.19
IUPAC Nameethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));4-pyridin-4-ylpyridine;bis(vanadium)
SMILESCC[O-].CC[O-].[O-2].[O-2].[O-]/C(=N\N=C\c1c([O-])ccc2ccccc12)c1ccccc1O.[O-]/C(=N\N=C\c1c([O-])ccc2ccccc12)c1ccccc1O.[V].[V].c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C18H14N2O3.C10H8N2.2C2H5O.2O.2V/c2*21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22;1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*1-2-3;;;;/h2*1-11,21-22H,(H,20,23);1-8H;2*2H2,1H3;;;;/q;;;2*-1;2*-2;;/p-4/b2*19-11+;;;;;;;
InChIKeyZWJMXPJLWBRNOF-WKWCZYEJSA-J
XLogP4.15
TPSA311.04 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.81
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

1-[[Ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 2396090
6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol
CID 24970356
6-(4-(2-Methyl-1-(pyridin-4-yl)prop-1-enyl)phenyl)naphthalen-2-ol
CID 46854760
1-{[(3-Pyridinylmethyl)imino]methyl}-2-naphthol
CID 708864
1-[(2-Hydroxynaphthalen-1-yl)-pyridin-4-ylmethyl]piperidin-4-ol
CID 56662189
1-[(4-Hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
CID 162646914
(S)-3,3'-Di(pyridin-2-yl)-[1,1'-binapthalene]-2,2'-diol
CID 135481002
6-[9-[3-Hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)pyridin-4-yl]naphthalen-1-yl]-3-[2-(trifluoromethyl)pyridin-4-yl]naphthalen-2-ol
CID 129180790
US20250114359, Inhibitor 74
CID 3779518
1-[(2-Hydroxynaphthalen-1-yl)-pyridin-3-ylmethyl]naphthalen-2-ol
CID 12451560
1-(Pyridin-4-ylmethyl)-2-naphthol
CID 16742892
1-[(Pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol
CID 54524247

Frequently Asked Questions

What is the IUPAC name of ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));4-pyridin-4-ylpyridine;bis(vanadium)?
The IUPAC name of ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));4-pyridin-4-ylpyridine;bis(vanadium) (CID 139049204) is ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));4-pyridin-4-ylpyridine;bis(vanadium).
What is the SMILES notation for ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));4-pyridin-4-ylpyridine;bis(vanadium)?
The canonical SMILES for ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));4-pyridin-4-ylpyridine;bis(vanadium) is CC[O-].CC[O-].[O-2].[O-2].[O-]/C(=N\N=C\c1c([O-])ccc2ccccc12)c1ccccc1O.[O-]/C(=N\N=C\c1c([O-])ccc2ccccc12)c1ccccc1O.[V].[V].c1cc(-c2ccncc2)ccn1.
What is the InChIKey of ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));4-pyridin-4-ylpyridine;bis(vanadium)?
The InChIKey is ZWJMXPJLWBRNOF-WKWCZYEJSA-J. The full InChI is InChI=1S/2C18H14N2O3.C10H8N2.2C2H5O.2O.2V/c2*21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22;1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*1-2-3;;;;/h2*1-11,21-22H,(H,20,23);1-8H;2*2H2,1H3;;;;/q;;;2*-1;2*-2;;/p-4/b2*19-11+;;;;;;;.
What are the key properties of ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));4-pyridin-4-ylpyridine;bis(vanadium)?
ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));4-pyridin-4-ylpyridine;bis(vanadium) has a molecular weight of 988.81 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidonaphthalen-1-yl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));4-pyridin-4-ylpyridine;bis(vanadium) is sourced from PubChem (CID 139049204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).