azanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate

C36H68Mn11N28O10 — CID 5246988

IUPACazanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate
SMILESN#C[N-]C#N.N#C[N-]C#N.N#C[N-]C#N.N#C[N-]C#N.N#C[N-]C#N.N#C[N-]C#N.O.O.O.O.O.O.OCC1=CC=CC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.[Mn+2].[Mn+2].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[Mn].[Mn].[Mn].[Mn].[Mn].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/3C6H12NO.C6H8NO.6C2N3.11Mn.6H2N.6H2O/c4*8-5-6-3-1-2-4-7-6;6*3-1-5-2-4;;;;;;;;;;;;;;;;;;;;;;;/h3*6,8H,1-5H2;1-3,8H,4-5H2;;;;;;;;;;;;;;;;;;12*1H2/q10*-1;;;;;;2*+2;4*+3;6*-1;;;;;;
InChIKeyJWLWJZDCERWHEL-UHFFFAOYSA-N
MW1657.44 g/mol
LogP4.78
Rot. Bonds4

About azanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate

azanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate (PubChem CID 5246988) has the molecular formula C36H68Mn11N28O10 and a molecular weight of 1657.44 g/mol. Its IUPAC name is azanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate.

Molecular Properties

Compound Nameazanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate
PubChem CID5246988
Molecular FormulaC36H68Mn11N28O10
Molecular Weight1657.44 g/mol
Exact Mass1656.89
IUPAC Nameazanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate
SMILESN#C[N-]C#N.N#C[N-]C#N.N#C[N-]C#N.N#C[N-]C#N.N#C[N-]C#N.N#C[N-]C#N.O.O.O.O.O.O.OCC1=CC=CC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.[Mn+2].[Mn+2].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[Mn].[Mn].[Mn].[Mn].[Mn].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/3C6H12NO.C6H8NO.6C2N3.11Mn.6H2N.6H2O/c4*8-5-6-3-1-2-4-7-6;6*3-1-5-2-4;;;;;;;;;;;;;;;;;;;;;;;/h3*6,8H,1-5H2;1-3,8H,4-5H2;;;;;;;;;;;;;;;;;;12*1H2/q10*-1;;;;;;2*+2;4*+3;6*-1;;;;;;
InChIKeyJWLWJZDCERWHEL-UHFFFAOYSA-N
XLogP4.78
TPSA897.40 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001657.44
LogP ≤ 54.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate?
The IUPAC name of azanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate (CID 5246988) is azanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate.
What is the SMILES notation for azanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate?
The canonical SMILES for azanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate is N#C[N-]C#N.N#C[N-]C#N.N#C[N-]C#N.N#C[N-]C#N.N#C[N-]C#N.N#C[N-]C#N.O.O.O.O.O.O.OCC1=CC=CC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.[Mn+2].[Mn+2].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[Mn].[Mn].[Mn].[Mn].[Mn].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].
What is the InChIKey of azanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate?
The InChIKey is JWLWJZDCERWHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H12NO.C6H8NO.6C2N3.11Mn.6H2N.6H2O/c4*8-5-6-3-1-2-4-7-6;6*3-1-5-2-4;;;;;;;;;;;;;;;;;;;;;;;/h3*6,8H,1-5H2;1-3,8H,4-5H2;;;;;;;;;;;;;;;;;;12*1H2/q10*-1;;;;;;2*+2;4*+3;6*-1;;;;;;.
What are the key properties of azanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate?
azanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate has a molecular weight of 1657.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate is sourced from PubChem (CID 5246988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).