methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-))

C18H15MoNO5-6 — CID 139049394

IUPACmethanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-))
SMILESCO.[Mo].[O-2].[O-2].[O-]c1ccccc1/N=C/c1c([O-])ccc2ccccc12
InChIInChI=1S/C17H13NO2.CH4O.Mo.2O/c19-16-10-9-12-5-1-2-6-13(12)14(16)11-18-15-7-3-4-8-17(15)20;1-2;;;/h1-11,19-20H;2H,1H3;;;/q;;;2*-2/p-2/b18-11+;;;;
InChIKeyMZJZPLKPINXWAV-HSEBTKBPSA-L
MW421.26 g/mol
LogP2.11
Rot. Bonds2

About methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-))

methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-)) (PubChem CID 139049394) has the molecular formula C18H15MoNO5-6 and a molecular weight of 421.26 g/mol. Its IUPAC name is methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-)).

Molecular Properties

Compound Namemethanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-))
PubChem CID139049394
Molecular FormulaC18H15MoNO5-6
Molecular Weight421.26 g/mol
Exact Mass423.00
IUPAC Namemethanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-))
SMILESCO.[Mo].[O-2].[O-2].[O-]c1ccccc1/N=C/c1c([O-])ccc2ccccc12
InChIInChI=1S/C17H13NO2.CH4O.Mo.2O/c19-16-10-9-12-5-1-2-6-13(12)14(16)11-18-15-7-3-4-8-17(15)20;1-2;;;/h1-11,19-20H;2H,1H3;;;/q;;;2*-2/p-2/b18-11+;;;;
InChIKeyMZJZPLKPINXWAV-HSEBTKBPSA-L
XLogP2.11
TPSA135.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

dicopper;bis(1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate);bis(pyridine)
CID 139078158
(2S)-3,3-dimethyl-2-[(2-oxidonaphthalen-1-yl)methylideneamino]butanoate;methanol;methanolate;oxygen(2-);vanadium
CID 139039831
copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate)
CID 139163460
1-(2,6-dimethylphenyl)-N-naphthalen-1-ylmethanimine
CID 71530075
1-[(2,3-dichlorophenyl)iminomethyl]naphthalen-2-ol
CID 690805
zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate
CID 139175016
2-[2-(2-oxidophenyl)iminoethylideneamino]phenolate
CID 101383278
N-naphthalen-1-yl-1-[4-(naphthalen-1-yliminomethyl)phenyl]methanimine
CID 3811018
1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol
CID 163678536
4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one
CID 135437637
1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol
CID 155033275
N-(2,3-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine
CID 126214700

Frequently Asked Questions

What is the IUPAC name of methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-))?
The IUPAC name of methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-)) (CID 139049394) is methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-)).
What is the SMILES notation for methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-))?
The canonical SMILES for methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-)) is CO.[Mo].[O-2].[O-2].[O-]c1ccccc1/N=C/c1c([O-])ccc2ccccc12.
What is the InChIKey of methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-))?
The InChIKey is MZJZPLKPINXWAV-HSEBTKBPSA-L. The full InChI is InChI=1S/C17H13NO2.CH4O.Mo.2O/c19-16-10-9-12-5-1-2-6-13(12)14(16)11-18-15-7-3-4-8-17(15)20;1-2;;;/h1-11,19-20H;2H,1H3;;;/q;;;2*-2/p-2/b18-11+;;;;.
What are the key properties of methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-))?
methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-)) has a molecular weight of 421.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-)) is sourced from PubChem (CID 139049394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).