dodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate

C36H84B4F16N12Ni2O12 — CID 139055905

IUPACdodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate
SMILESCN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Ni+2].[Ni+2]
InChIInChI=1S/12C3H7NO.4BF4.2Ni/c12*1-4(2)3-5;4*2-1(3,4)5;;/h12*3H,1-2H3;;;;;;/q;;;;;;;;;;;;4*-1;2*+2
InChIKeyJYZDLBNNPBTZQO-UHFFFAOYSA-N
MW1341.74 g/mol
LogP1.65
Rot. Bonds12

About dodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate

dodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate (PubChem CID 139055905) has the molecular formula C36H84B4F16N12Ni2O12 and a molecular weight of 1341.74 g/mol. Its IUPAC name is dodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate.

Molecular Properties

Compound Namedodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate
PubChem CID139055905
Molecular FormulaC36H84B4F16N12Ni2O12
Molecular Weight1341.74 g/mol
Exact Mass1340.52
IUPAC Namedodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate
SMILESCN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Ni+2].[Ni+2]
InChIInChI=1S/12C3H7NO.4BF4.2Ni/c12*1-4(2)3-5;4*2-1(3,4)5;;/h12*3H,1-2H3;;;;;;/q;;;;;;;;;;;;4*-1;2*+2
InChIKeyJYZDLBNNPBTZQO-UHFFFAOYSA-N
XLogP1.65
TPSA243.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001341.74
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze dodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate?
The IUPAC name of dodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate (CID 139055905) is dodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate.
What is the SMILES notation for dodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate?
The canonical SMILES for dodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate is CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[Ni+2].[Ni+2].
What is the InChIKey of dodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate?
The InChIKey is JYZDLBNNPBTZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/12C3H7NO.4BF4.2Ni/c12*1-4(2)3-5;4*2-1(3,4)5;;/h12*3H,1-2H3;;;;;;/q;;;;;;;;;;;;4*-1;2*+2.
What are the key properties of dodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate?
dodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate has a molecular weight of 1341.74 g/mol, XLogP of 1.65, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dodecakis(N,N-dimethylformamide);bis(nickel(2+));tetratetrafluoroborate is sourced from PubChem (CID 139055905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).