bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol

C32H36MnN2O10 — CID 139076652

IUPACbis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol
SMILESCO.CO.CO.CO.O=C([O-])c1ccc(/N=C/c2ccccc2O)cc1.O=C([O-])c1ccc(/N=C/c2ccccc2O)cc1.[Mn+2]
InChIInChI=1S/2C14H11NO3.4CH4O.Mn/c2*16-13-4-2-1-3-11(13)9-15-12-7-5-10(6-8-12)14(17)18;4*1-2;/h2*1-9,16H,(H,17,18);4*2H,1H3;/q;;;;;;+2/p-2/b2*15-9+;;;;;
InChIKeyVAFNVTUCPLPVBF-TWNVKBHPSA-L
MW663.58 g/mol
LogP1.44
Rot. Bonds6

About bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol

bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol (PubChem CID 139076652) has the molecular formula C32H36MnN2O10 and a molecular weight of 663.58 g/mol. Its IUPAC name is bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol.

Molecular Properties

Compound Namebis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol
PubChem CID139076652
Molecular FormulaC32H36MnN2O10
Molecular Weight663.58 g/mol
Exact Mass663.18
IUPAC Namebis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol
SMILESCO.CO.CO.CO.O=C([O-])c1ccc(/N=C/c2ccccc2O)cc1.O=C([O-])c1ccc(/N=C/c2ccccc2O)cc1.[Mn+2]
InChIInChI=1S/2C14H11NO3.4CH4O.Mn/c2*16-13-4-2-1-3-11(13)9-15-12-7-5-10(6-8-12)14(17)18;4*1-2;/h2*1-9,16H,(H,17,18);4*2H,1H3;/q;;;;;;+2/p-2/b2*15-9+;;;;;
InChIKeyVAFNVTUCPLPVBF-TWNVKBHPSA-L
XLogP1.44
TPSA226.36 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500663.58
LogP ≤ 51.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol
CID 137230306
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
N-[(Z)-1-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethylideneamino]benzamide
CID 135577594
2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol
CID 170941504
(NE)-N-[(2-hydroxyphenyl)methylidene]-4-[(2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135473169
2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
CID 135440137
acetyl-[4-[(2-hydroxyphenyl)methylideneamino]phenoxy]mercury
CID 135436474
2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol
CID 3812353
2-[[4-(hydroxymethyl)phenyl]iminomethyl]phenol
CID 139083924
dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595463
2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 724452

Frequently Asked Questions

What is the IUPAC name of bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol?
The IUPAC name of bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol (CID 139076652) is bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol.
What is the SMILES notation for bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol?
The canonical SMILES for bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol is CO.CO.CO.CO.O=C([O-])c1ccc(/N=C/c2ccccc2O)cc1.O=C([O-])c1ccc(/N=C/c2ccccc2O)cc1.[Mn+2].
What is the InChIKey of bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol?
The InChIKey is VAFNVTUCPLPVBF-TWNVKBHPSA-L. The full InChI is InChI=1S/2C14H11NO3.4CH4O.Mn/c2*16-13-4-2-1-3-11(13)9-15-12-7-5-10(6-8-12)14(17)18;4*1-2;/h2*1-9,16H,(H,17,18);4*2H,1H3;/q;;;;;;+2/p-2/b2*15-9+;;;;;.
What are the key properties of bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol?
bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol has a molecular weight of 663.58 g/mol, XLogP of 1.44, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol is sourced from PubChem (CID 139076652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).