bis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+)

C33H29MnN3O8 — CID 139175464

IUPACbis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+)
SMILESCOc1cccc(OC)c1C(=O)[O-].COc1cccc(OC)c1C(=O)[O-].[Mn+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.2C9H10O4.Mn/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-12-6-4-3-5-7(13-2)8(6)9(10)11;/h1-11H;2*3-5H,1-2H3,(H,10,11);/q;;;+2/p-2
InChIKeyQQEWJORUWDTDDB-UHFFFAOYSA-L
MW650.55 g/mol
LogP3.34
Rot. Bonds8

About bis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+)

bis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+) (PubChem CID 139175464) has the molecular formula C33H29MnN3O8 and a molecular weight of 650.55 g/mol. Its IUPAC name is bis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+).

Molecular Properties

Compound Namebis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+)
PubChem CID139175464
Molecular FormulaC33H29MnN3O8
Molecular Weight650.55 g/mol
Exact Mass650.13
IUPAC Namebis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+)
SMILESCOc1cccc(OC)c1C(=O)[O-].COc1cccc(OC)c1C(=O)[O-].[Mn+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.2C9H10O4.Mn/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-12-6-4-3-5-7(13-2)8(6)9(10)11;/h1-11H;2*3-5H,1-2H3,(H,10,11);/q;;;+2/p-2
InChIKeyQQEWJORUWDTDDB-UHFFFAOYSA-L
XLogP3.34
TPSA155.85 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.55
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

2,6-Bis(3-{bis[(pyridin-2-yl)methyl]amino}propoxy)benzoic acid
CID 15829197
acetonitrile;2-benzoyloxybenzoate;cadmium(2+);1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
CID 139036963
Bis[(mu-O,O'-salicylato)(1,10-phenanthroline)copper(II)], acetylsalicylic acid solvate, diaqua solvate
CID 139056948
Bis(2,2'-bipyridyl-kappa^2^N,N')bis(2-hydroxybenzoato)-kappaO^1^;kappa^2^O^1^,O^1'^-cadmium(II) methanol solvate
CID 139078259
Copper;bis(2-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine
CID 139168097
Bis(acetonitrile);bis(manganese(3+));bis(3-methoxybenzoate);oxygen(2-);bis(2-pyridin-2-ylpyridine);dinitrate
CID 139168657
Bis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 139169985
Bis(manganese(2+));bis(2-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 139169987
manganese(3+);4-oxo-2-phenylchromen-3-olate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
CID 168337215
Dioxidanium;dizinc;bis(3-(3-carboxylatophenoxy)-5-(3-carboxyphenoxy)benzoate);bis(2-pyridin-2-ylpyridine)
CID 168341502
Dioxidanium;bis(3-(3-carboxylatophenoxy)-5-(3-carboxyphenoxy)benzoate);bis(manganese(2+));bis(2-pyridin-2-ylpyridine)
CID 168341844
Oxidanium;bis(manganese(3+));bis(3-methoxybenzoate);oxygen(2-);bis(2-pyridin-2-ylpyridine);diperchlorate
CID 168348506

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+)?
The IUPAC name of bis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+) (CID 139175464) is bis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+).
What is the SMILES notation for bis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+)?
The canonical SMILES for bis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+) is COc1cccc(OC)c1C(=O)[O-].COc1cccc(OC)c1C(=O)[O-].[Mn+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of bis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+)?
The InChIKey is QQEWJORUWDTDDB-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H11N3.2C9H10O4.Mn/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-12-6-4-3-5-7(13-2)8(6)9(10)11;/h1-11H;2*3-5H,1-2H3,(H,10,11);/q;;;+2/p-2.
What are the key properties of bis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+)?
bis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+) has a molecular weight of 650.55 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dimethoxybenzoate);2,6-dipyridin-2-ylpyridine;manganese(2+) is sourced from PubChem (CID 139175464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).