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+))

C144H192N72Ni14-4 — CID 139122769

IUPACoctakis(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+))
SMILESC/N=C/c1[n-]cnc1C.C/N=C/c1[n-]cnc1C.C/N=C/c1[n-]cnc1C.C/N=C\c1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.[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/24C6H8N3.14Ni/c24*1-5-6(3-7-2)9-4-8-5;;;;;;;;;;;;;;/h24*3-4H,1-2H3;;;;;;;;;;;;;;/q24*-1;;;;;10*+2/b3*7-3+;7-3-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyHJOXKRFOGIHFIZ-DOSCRHFBSA-N
MW3753.33 g/mol
LogP9.47
Rot. Bonds24

About 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+))

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+)) (PubChem CID 139122769) has the molecular formula C144H192N72Ni14-4 and a molecular weight of 3753.33 g/mol. Its IUPAC name is 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+)).

Molecular Properties

Compound Nameoctakis(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+))
PubChem CID139122769
Molecular FormulaC144H192N72Ni14-4
Molecular Weight3753.33 g/mol
Exact Mass3740.82
IUPAC Nameoctakis(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+))
SMILESC/N=C/c1[n-]cnc1C.C/N=C/c1[n-]cnc1C.C/N=C/c1[n-]cnc1C.C/N=C\c1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.[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/24C6H8N3.14Ni/c24*1-5-6(3-7-2)9-4-8-5;;;;;;;;;;;;;;/h24*3-4H,1-2H3;;;;;;;;;;;;;;/q24*-1;;;;;10*+2/b3*7-3+;7-3-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyHJOXKRFOGIHFIZ-DOSCRHFBSA-N
XLogP9.47
TPSA944.40 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds24
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003753.33
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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+))?
The IUPAC name of 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) is 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+)).
What is the SMILES notation for 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+))?
The canonical SMILES for 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+)) is C/N=C/c1[n-]cnc1C.C/N=C/c1[n-]cnc1C.C/N=C/c1[n-]cnc1C.C/N=C\c1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1[n-]cnc1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.CN=Cc1nc[n-]c1C.[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 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+))?
The InChIKey is HJOXKRFOGIHFIZ-DOSCRHFBSA-N. The full InChI is InChI=1S/24C6H8N3.14Ni/c24*1-5-6(3-7-2)9-4-8-5;;;;;;;;;;;;;;/h24*3-4H,1-2H3;;;;;;;;;;;;;;/q24*-1;;;;;10*+2/b3*7-3+;7-3-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 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+))?
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+)) has a molecular weight of 3753.33 g/mol, XLogP of 9.47, 24 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 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+)) is sourced from PubChem (CID 139122769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).