tris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate

C36H36Mn3N6O12 — CID 139135209

IUPACtris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Mn+2].[Mn+2].[Mn+2].c1ccc(-c2nc3ccccc3[nH]2)nc1.c1ccc(-c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/2C12H9N3.6C2H4O2.3Mn/c2*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;6*1-2(3)4;;;/h2*1-8H,(H,14,15);6*1H3,(H,3,4);;;/q;;;;;;;;3*+2/p-6
InChIKeyCEXVOGZJERUUFY-UHFFFAOYSA-H
MW909.53 g/mol
LogP-2.22
Rot. Bonds2

About tris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate

tris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate (PubChem CID 139135209) has the molecular formula C36H36Mn3N6O12 and a molecular weight of 909.53 g/mol. Its IUPAC name is tris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate.

Molecular Properties

Compound Nametris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate
PubChem CID139135209
Molecular FormulaC36H36Mn3N6O12
Molecular Weight909.53 g/mol
Exact Mass909.05
IUPAC Nametris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Mn+2].[Mn+2].[Mn+2].c1ccc(-c2nc3ccccc3[nH]2)nc1.c1ccc(-c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/2C12H9N3.6C2H4O2.3Mn/c2*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;6*1-2(3)4;;;/h2*1-8H,(H,14,15);6*1H3,(H,3,4);;;/q;;;;;;;;3*+2/p-6
InChIKeyCEXVOGZJERUUFY-UHFFFAOYSA-H
XLogP-2.22
TPSA323.92 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds2
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.53
LogP ≤ 5-2.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

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Related Compounds

tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(2-(1H-imidazol-2-yl)pyridine);bis(ruthenium(2+))
CID 139141468
2-N-(1H-benzimidazol-2-yl)-5-N-(6-fluoro-1H-benzimidazol-2-yl)-3a,6a-dipyridin-2-yl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-diamine;2,2,2-trifluoroacetic acid
CID 19610972
2-N-(1H-benzimidazol-2-yl)-5-N-(1-methylbenzimidazol-2-yl)-3a,6a-dipyridin-2-yl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-diamine;2,2,2-trifluoroacetic acid
CID 19610979
2-N,5-N-bis(6-fluoro-1H-benzimidazol-2-yl)-3a,6a-dipyridin-2-yl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-diamine;2,2,2-trifluoroacetic acid
CID 19610981
2-N-(1H-benzimidazol-2-yl)-5-N-(6-iodo-1H-benzimidazol-2-yl)-3a,6a-dipyridin-2-yl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-diamine;2,2,2-trifluoroacetic acid
CID 88072073
[ppy2IrNH]+Br-
CID 73330352
[ppy2IrNH]+PF6-
CID 73330354
[ppy2IrNH]+I-
CID 73330357
[ppy2IrNH]+Cl-
CID 73330358
[ppy2IrNH]+BF4-
CID 73330359
(6-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-kappa^2^O^5^,O^6^)bis[2-(2-pyridyl)-1H-benzimidazole-kappa^2^N^2^,N^3^)manganese(II) monohydrate
CID 139061069
trans-bis(1H-benzimidazole-kappaN^3^)bis(1H-benzimidazole-2-carboxylato-kappa^2^N^3^,O)nickel(II)
CID 139061215

Frequently Asked Questions

What is the IUPAC name of tris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate?
The IUPAC name of tris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate (CID 139135209) is tris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate.
What is the SMILES notation for tris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate?
The canonical SMILES for tris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Mn+2].[Mn+2].[Mn+2].c1ccc(-c2nc3ccccc3[nH]2)nc1.c1ccc(-c2nc3ccccc3[nH]2)nc1.
What is the InChIKey of tris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate?
The InChIKey is CEXVOGZJERUUFY-UHFFFAOYSA-H. The full InChI is InChI=1S/2C12H9N3.6C2H4O2.3Mn/c2*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;6*1-2(3)4;;;/h2*1-8H,(H,14,15);6*1H3,(H,3,4);;;/q;;;;;;;;3*+2/p-6.
What are the key properties of tris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate?
tris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate has a molecular weight of 909.53 g/mol, XLogP of -2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tris(manganese(2+));bis(2-pyridin-2-yl-1H-benzimidazole);hexaacetate is sourced from PubChem (CID 139135209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).