N,N-dimethylformamide;bis(2,6-dipyridin-2-ylpyridine);nickel(2+);dihexafluorophosphate

C33H29F12N7NiOP2 — CID 139195237

IUPACN,N-dimethylformamide;bis(2,6-dipyridin-2-ylpyridine);nickel(2+);dihexafluorophosphate
SMILESCN(C)C=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ni+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.C3H7NO.2F6P.Ni/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-4(2)3-5;2*1-7(2,3,4,5)6;/h2*1-11H;3H,1-2H3;;;/q;;;2*-1;+2
InChIKeyUPAOSOAIGLFRBS-UHFFFAOYSA-N
MW888.26 g/mol
LogP12.88
Rot. Bonds5

About N,N-dimethylformamide;bis(2,6-dipyridin-2-ylpyridine);nickel(2+);dihexafluorophosphate

N,N-dimethylformamide;bis(2,6-dipyridin-2-ylpyridine);nickel(2+);dihexafluorophosphate (PubChem CID 139195237) has the molecular formula C33H29F12N7NiOP2 and a molecular weight of 888.26 g/mol. Its IUPAC name is N,N-dimethylformamide;bis(2,6-dipyridin-2-ylpyridine);nickel(2+);dihexafluorophosphate.

Molecular Properties

Compound NameN,N-dimethylformamide;bis(2,6-dipyridin-2-ylpyridine);nickel(2+);dihexafluorophosphate
PubChem CID139195237
Molecular FormulaC33H29F12N7NiOP2
Molecular Weight888.26 g/mol
Exact Mass887.11
IUPAC NameN,N-dimethylformamide;bis(2,6-dipyridin-2-ylpyridine);nickel(2+);dihexafluorophosphate
SMILESCN(C)C=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ni+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.C3H7NO.2F6P.Ni/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-4(2)3-5;2*1-7(2,3,4,5)6;/h2*1-11H;3H,1-2H3;;;/q;;;2*-1;+2
InChIKeyUPAOSOAIGLFRBS-UHFFFAOYSA-N
XLogP12.88
TPSA97.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.26
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;bis(2,6-dipyridin-2-ylpyridine);nickel(2+);dihexafluorophosphate?
The IUPAC name of N,N-dimethylformamide;bis(2,6-dipyridin-2-ylpyridine);nickel(2+);dihexafluorophosphate (CID 139195237) is N,N-dimethylformamide;bis(2,6-dipyridin-2-ylpyridine);nickel(2+);dihexafluorophosphate.
What is the SMILES notation for N,N-dimethylformamide;bis(2,6-dipyridin-2-ylpyridine);nickel(2+);dihexafluorophosphate?
The canonical SMILES for N,N-dimethylformamide;bis(2,6-dipyridin-2-ylpyridine);nickel(2+);dihexafluorophosphate is CN(C)C=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ni+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of N,N-dimethylformamide;bis(2,6-dipyridin-2-ylpyridine);nickel(2+);dihexafluorophosphate?
The InChIKey is UPAOSOAIGLFRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N3.C3H7NO.2F6P.Ni/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-4(2)3-5;2*1-7(2,3,4,5)6;/h2*1-11H;3H,1-2H3;;;/q;;;2*-1;+2.
What are the key properties of N,N-dimethylformamide;bis(2,6-dipyridin-2-ylpyridine);nickel(2+);dihexafluorophosphate?
N,N-dimethylformamide;bis(2,6-dipyridin-2-ylpyridine);nickel(2+);dihexafluorophosphate has a molecular weight of 888.26 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;bis(2,6-dipyridin-2-ylpyridine);nickel(2+);dihexafluorophosphate is sourced from PubChem (CID 139195237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).