(1-imidazol-1-id-4-yl-N-methylmethanimine);nickel;decakis(nickel(2+))

C120H144N72Ni14-4 — CID 139121118

IUPAC(1-imidazol-1-id-4-yl-N-methylmethanimine);nickel;decakis(nickel(2+))
SMILESC/N=C/c1c[n-]cn1.C/N=C/c1c[n-]cn1.C/N=C/c1c[n-]cn1.C/N=C/c1c[n-]cn1.C/N=C\c1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/24C5H6N3.14Ni/c24*1-6-2-5-3-7-4-8-5;;;;;;;;;;;;;;/h24*2-4H,1H3;;;;;;;;;;;;;;/q24*-1;;;;;10*+2/b4*6-2+;6-2-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyFLFWVESNSPCQLO-SWYYNUISSA-N
MW3416.68 g/mol
LogP2.07
Rot. Bonds24

About (1-imidazol-1-id-4-yl-N-methylmethanimine);nickel;decakis(nickel(2+))

(1-imidazol-1-id-4-yl-N-methylmethanimine);nickel;decakis(nickel(2+)) (PubChem CID 139121118) has the molecular formula C120H144N72Ni14-4 and a molecular weight of 3416.68 g/mol. Its IUPAC name is (1-imidazol-1-id-4-yl-N-methylmethanimine);nickel;decakis(nickel(2+)).

Molecular Properties

Compound Name(1-imidazol-1-id-4-yl-N-methylmethanimine);nickel;decakis(nickel(2+))
PubChem CID139121118
Molecular FormulaC120H144N72Ni14-4
Molecular Weight3416.68 g/mol
Exact Mass3404.45
IUPAC Name(1-imidazol-1-id-4-yl-N-methylmethanimine);nickel;decakis(nickel(2+))
SMILESC/N=C/c1c[n-]cn1.C/N=C/c1c[n-]cn1.C/N=C/c1c[n-]cn1.C/N=C/c1c[n-]cn1.C/N=C\c1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/24C5H6N3.14Ni/c24*1-6-2-5-3-7-4-8-5;;;;;;;;;;;;;;/h24*2-4H,1H3;;;;;;;;;;;;;;/q24*-1;;;;;10*+2/b4*6-2+;6-2-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyFLFWVESNSPCQLO-SWYYNUISSA-N
XLogP2.07
TPSA944.40 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds24
Heavy Atoms206
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003416.68
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

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Related Compounds

cyanoiminomethylideneazanide;octakis(5-methyl-1H-imidazole);bis(nickel(2+))
CID 139055324
octakis(N-methyl-1-(5-methylimidazol-1-id-4-yl)methanimine);hexadecakis(N-methyl-1-(5-methylimidazol-3-id-4-yl)methanimine);nickel;decakis(nickel(2+))
CID 139122769
Thallium(I) tetrakis(4-methylimidazolyl)borate
CID 139130339
Hexakis(imidazol-3-ide-4-carbonitrile);nickel(2+);tetrakis(tetrabutylazanium);dihydrate
CID 139130380
manganese(2+);hexakis(4-methyl-1H-imidazole);thiocyanic acid
CID 135502220
tetrakis(2-ethyl-5-methyl-1H-imidazole);tris(1H-imidazole)
CID 67777592
Tridecakis(1,2,3,4-tetramethylimidazol-1-ium);tetraborate;fluoride
CID 139844450
Tridecakis(1,2-diethyl-3,4-dimethylimidazol-1-ium);tetraborate;fluoride
CID 139844458
Tridecakis(1,3,4-trimethylimidazol-1-ium);tetraborate;fluoride
CID 139844476
1,4-Dimethylimidazole;bis(1,3-dimethylimidazol-1-ium);1,4-dimethyl-1,2,4-triazol-4-ium
CID 157050550
2,4-Diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium
CID 157108694
1,4-Dimethylimidazole;1,3-dimethylimidazol-1-ium;bis(1,4-dimethyl-1,2,4-triazol-4-ium)
CID 157336559

Frequently Asked Questions

What is the IUPAC name of (1-imidazol-1-id-4-yl-N-methylmethanimine);nickel;decakis(nickel(2+))?
The IUPAC name of (1-imidazol-1-id-4-yl-N-methylmethanimine);nickel;decakis(nickel(2+)) (CID 139121118) is (1-imidazol-1-id-4-yl-N-methylmethanimine);nickel;decakis(nickel(2+)).
What is the SMILES notation for (1-imidazol-1-id-4-yl-N-methylmethanimine);nickel;decakis(nickel(2+))?
The canonical SMILES for (1-imidazol-1-id-4-yl-N-methylmethanimine);nickel;decakis(nickel(2+)) is C/N=C/c1c[n-]cn1.C/N=C/c1c[n-]cn1.C/N=C/c1c[n-]cn1.C/N=C/c1c[n-]cn1.C/N=C\c1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.CN=Cc1c[n-]cn1.[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni].[Ni].[Ni].[Ni].
What is the InChIKey of (1-imidazol-1-id-4-yl-N-methylmethanimine);nickel;decakis(nickel(2+))?
The InChIKey is FLFWVESNSPCQLO-SWYYNUISSA-N. The full InChI is InChI=1S/24C5H6N3.14Ni/c24*1-6-2-5-3-7-4-8-5;;;;;;;;;;;;;;/h24*2-4H,1H3;;;;;;;;;;;;;;/q24*-1;;;;;10*+2/b4*6-2+;6-2-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of (1-imidazol-1-id-4-yl-N-methylmethanimine);nickel;decakis(nickel(2+))?
(1-imidazol-1-id-4-yl-N-methylmethanimine);nickel;decakis(nickel(2+)) has a molecular weight of 3416.68 g/mol, XLogP of 2.07, 24 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (1-imidazol-1-id-4-yl-N-methylmethanimine);nickel;decakis(nickel(2+)) is sourced from PubChem (CID 139121118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).