tris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate

C65H64Cl6F6N22Ni5O10PS4- — CID 139174962

IUPACtris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate
SMILESCN(C)C=O.CN(C)C=O.CS(=O)(=O)[N-]c1ccc2ccc([N-]c3ccccn3)nc2n1.CS(=O)(=O)[N-]c1ccc2ccc([N-]c3ccccn3)nc2n1.CS(=O)(=O)[N-]c1ccc2ccc([N-]c3ccccn3)nc2n1.CS(=O)(=O)[N-]c1ccc2ccc([N-]c3ccccn3)nc2n1.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni]
InChIInChI=1S/4C14H11N5O2S.2C3H7NO.3CH2Cl2.F6P.5Ni/c4*1-22(20,21)19-13-8-6-10-5-7-12(17-14(10)18-13)16-11-4-2-3-9-15-11;2*1-4(2)3-5;3*2-1-3;1-7(2,3,4,5)6;;;;;/h4*2-9H,1H3;2*3H,1-2H3;3*1H2;;;;;;/q4*-2;;;;;;-1;;4*+2
InChIKeyPPHXHBDYAXBEOC-UHFFFAOYSA-N
MW2092.78 g/mol
LogP20.35
Rot. Bonds18

About tris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate

tris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate (PubChem CID 139174962) has the molecular formula C65H64Cl6F6N22Ni5O10PS4- and a molecular weight of 2092.78 g/mol. Its IUPAC name is tris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate.

Molecular Properties

Compound Nametris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate
PubChem CID139174962
Molecular FormulaC65H64Cl6F6N22Ni5O10PS4-
Molecular Weight2092.78 g/mol
Exact Mass2084.86
IUPAC Nametris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate
SMILESCN(C)C=O.CN(C)C=O.CS(=O)(=O)[N-]c1ccc2ccc([N-]c3ccccn3)nc2n1.CS(=O)(=O)[N-]c1ccc2ccc([N-]c3ccccn3)nc2n1.CS(=O)(=O)[N-]c1ccc2ccc([N-]c3ccccn3)nc2n1.CS(=O)(=O)[N-]c1ccc2ccc([N-]c3ccccn3)nc2n1.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni]
InChIInChI=1S/4C14H11N5O2S.2C3H7NO.3CH2Cl2.F6P.5Ni/c4*1-22(20,21)19-13-8-6-10-5-7-12(17-14(10)18-13)16-11-4-2-3-9-15-11;2*1-4(2)3-5;3*2-1-3;1-7(2,3,4,5)6;;;;;/h4*2-9H,1H3;2*3H,1-2H3;3*1H2;;;;;;/q4*-2;;;;;;-1;;4*+2
InChIKeyPPHXHBDYAXBEOC-UHFFFAOYSA-N
XLogP20.35
TPSA444.66 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002092.78
LogP ≤ 520.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate?
The IUPAC name of tris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate (CID 139174962) is tris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate.
What is the SMILES notation for tris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate?
The canonical SMILES for tris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate is CN(C)C=O.CN(C)C=O.CS(=O)(=O)[N-]c1ccc2ccc([N-]c3ccccn3)nc2n1.CS(=O)(=O)[N-]c1ccc2ccc([N-]c3ccccn3)nc2n1.CS(=O)(=O)[N-]c1ccc2ccc([N-]c3ccccn3)nc2n1.CS(=O)(=O)[N-]c1ccc2ccc([N-]c3ccccn3)nc2n1.ClCCl.ClCCl.ClCCl.F[P-](F)(F)(F)(F)F.[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni].
What is the InChIKey of tris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate?
The InChIKey is PPHXHBDYAXBEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H11N5O2S.2C3H7NO.3CH2Cl2.F6P.5Ni/c4*1-22(20,21)19-13-8-6-10-5-7-12(17-14(10)18-13)16-11-4-2-3-9-15-11;2*1-4(2)3-5;3*2-1-3;1-7(2,3,4,5)6;;;;;/h4*2-9H,1H3;2*3H,1-2H3;3*1H2;;;;;;/q4*-2;;;;;;-1;;4*+2.
What are the key properties of tris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate?
tris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate has a molecular weight of 2092.78 g/mol, XLogP of 20.35, 18 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dichloromethane);bis(N,N-dimethylformamide);tetrakis(methylsulfonyl-(7-pyridin-2-ylazanidyl-1,8-naphthyridin-2-yl)azanide);nickel;tetrakis(nickel(2+));hexafluorophosphate is sourced from PubChem (CID 139174962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).