ethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-))

C32H34Mo2N6O12-12 — CID 139146570

IUPACethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-))
SMILESCCO.CCO.COc1ccc(/C=N/N=C(\[O-])c2ccncc2)c([O-])c1.COc1ccc(/C=N/N=C(\[O-])c2ccncc2)c([O-])c1.[Mo].[Mo].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/2C14H13N3O3.2C2H6O.2Mo.4O/c2*1-20-12-3-2-11(13(18)8-12)9-16-17-14(19)10-4-6-15-7-5-10;2*1-2-3;;;;;;/h2*2-9,18H,1H3,(H,17,19);2*3H,2H2,1H3;;;;;;/q;;;;;;4*-2/p-4/b2*16-9+;;;;;;;;
InChIKeyCHTAAFSMERZTHH-WBPMVESRSA-J
MW886.53 g/mol
LogP0.13
Rot. Bonds8

About ethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-))

ethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-)) (PubChem CID 139146570) has the molecular formula C32H34Mo2N6O12-12 and a molecular weight of 886.53 g/mol. Its IUPAC name is ethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-)).

Molecular Properties

Compound Nameethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-))
PubChem CID139146570
Molecular FormulaC32H34Mo2N6O12-12
Molecular Weight886.53 g/mol
Exact Mass890.04
IUPAC Nameethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-))
SMILESCCO.CCO.COc1ccc(/C=N/N=C(\[O-])c2ccncc2)c([O-])c1.COc1ccc(/C=N/N=C(\[O-])c2ccncc2)c([O-])c1.[Mo].[Mo].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/2C14H13N3O3.2C2H6O.2Mo.4O/c2*1-20-12-3-2-11(13(18)8-12)9-16-17-14(19)10-4-6-15-7-5-10;2*1-2-3;;;;;;/h2*2-9,18H,1H3,(H,17,19);2*3H,2H2,1H3;;;;;;/q;;;;;;4*-2/p-4/b2*16-9+;;;;;;;;
InChIKeyCHTAAFSMERZTHH-WBPMVESRSA-J
XLogP0.13
TPSA340.38 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.53
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (NE,4Z)-N-[(2,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazonate
CID 9555926
1,6-Bis[(3-fluoro-4-methoxy-phenyl)methylene]-3,8-bis(4-pyridyl)-4,9-dioxa-1$l^{5},2,6$l^{5},7-tetraza-5$l^{4}-cobaltaspiro[4.4]nona-2,7-diene
CID 135542206
3-[(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2,3-dihydropyrrol-5-yl]pyridine
CID 15390037
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine
CID 57340826
(2R,5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-3,4-dihydro-2H-pyridin-2-ol
CID 44182293
chloroform;cobalt(3+);5-methoxy-2-[[(1S,2R)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;bis(pyridine);hexafluorophosphate
CID 139041543
Dicopper;bis(2-[(4-hydroxy-2-oxidophenyl)methylideneamino]acetate);methanol;bis(pyridine)
CID 139044181
[2-Methoxy-N'-(2-oxidobenzoyl)benzohydrazidato(3-)]dipyridinetrizinc(II)
CID 139070843
ethanolate;bis((NE,1Z)-2-hydroxy-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate);bis(oxygen(2-));bis(pyridine);bis(vanadium)
CID 139138213
ethanol(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis-dioxomolybdenum(VI) alpha
CID 139146569
gamma-picoline(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis-dioxomolybdenum(VI) gamma-picoline solvate
CID 139146571
pyridine(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis-dioxomolybdenum(VI)
CID 139146572

Frequently Asked Questions

What is the IUPAC name of ethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-))?
The IUPAC name of ethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-)) (CID 139146570) is ethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-)).
What is the SMILES notation for ethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-))?
The canonical SMILES for ethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-)) is CCO.CCO.COc1ccc(/C=N/N=C(\[O-])c2ccncc2)c([O-])c1.COc1ccc(/C=N/N=C(\[O-])c2ccncc2)c([O-])c1.[Mo].[Mo].[O-2].[O-2].[O-2].[O-2].
What is the InChIKey of ethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-))?
The InChIKey is CHTAAFSMERZTHH-WBPMVESRSA-J. The full InChI is InChI=1S/2C14H13N3O3.2C2H6O.2Mo.4O/c2*1-20-12-3-2-11(13(18)8-12)9-16-17-14(19)10-4-6-15-7-5-10;2*1-2-3;;;;;;/h2*2-9,18H,1H3,(H,17,19);2*3H,2H2,1H3;;;;;;/q;;;;;;4*-2/p-4/b2*16-9+;;;;;;;;.
What are the key properties of ethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-))?
ethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-)) has a molecular weight of 886.53 g/mol, XLogP of 0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;bis((NE,4Z)-N-[(4-methoxy-2-oxidophenyl)methylidene]pyridine-4-carbohydrazonate);molybdenum;tetrakis(oxygen(2-)) is sourced from PubChem (CID 139146570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).