manganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate

C18H18BF4MnN2O2 — CID 11351058

IUPACmanganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate
SMILESCc1cccc(/C=N/CC/N=C/c2cccc(C)c2[O-])c1[O-].F[B-](F)(F)F.[Mn+3]
InChIInChI=1S/C18H20N2O2.BF4.Mn/c1-13-5-3-7-15(17(13)21)11-19-9-10-20-12-16-8-4-6-14(2)18(16)22;2-1(3,4)5;/h3-8,11-12,21-22H,9-10H2,1-2H3;;/q;-1;+3/p-2/b19-11+,20-12+;;
InChIKeyVQYULOLKFCIKOG-GAMUHHASSA-L
MW436.10 g/mol
LogP3.29
Rot. Bonds5

About manganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate

manganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate (PubChem CID 11351058) has the molecular formula C18H18BF4MnN2O2 and a molecular weight of 436.10 g/mol. Its IUPAC name is manganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate.

Molecular Properties

Compound Namemanganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate
PubChem CID11351058
Molecular FormulaC18H18BF4MnN2O2
Molecular Weight436.10 g/mol
Exact Mass436.08
IUPAC Namemanganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate
SMILESCc1cccc(/C=N/CC/N=C/c2cccc(C)c2[O-])c1[O-].F[B-](F)(F)F.[Mn+3]
InChIInChI=1S/C18H20N2O2.BF4.Mn/c1-13-5-3-7-15(17(13)21)11-19-9-10-20-12-16-8-4-6-14(2)18(16)22;2-1(3,4)5;/h3-8,11-12,21-22H,9-10H2,1-2H3;;/q;-1;+3/p-2/b19-11+,20-12+;;
InChIKeyVQYULOLKFCIKOG-GAMUHHASSA-L
XLogP3.29
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.10
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of manganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate?
The IUPAC name of manganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate (CID 11351058) is manganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate.
What is the SMILES notation for manganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate?
The canonical SMILES for manganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate is Cc1cccc(/C=N/CC/N=C/c2cccc(C)c2[O-])c1[O-].F[B-](F)(F)F.[Mn+3].
What is the InChIKey of manganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate?
The InChIKey is VQYULOLKFCIKOG-GAMUHHASSA-L. The full InChI is InChI=1S/C18H20N2O2.BF4.Mn/c1-13-5-3-7-15(17(13)21)11-19-9-10-20-12-16-8-4-6-14(2)18(16)22;2-1(3,4)5;/h3-8,11-12,21-22H,9-10H2,1-2H3;;/q;-1;+3/p-2/b19-11+,20-12+;;.
What are the key properties of manganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate?
manganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate has a molecular weight of 436.10 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(3+);2-methyl-6-[2-[(3-methyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;tetrafluoroborate is sourced from PubChem (CID 11351058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).