nickel(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate

C30H24F12N6NiP2 — CID 139146112

IUPACnickel(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ni+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.2F6P.Ni/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2
InChIKeyPLUOFIGMNBPKCB-UHFFFAOYSA-N
MW817.18 g/mol
LogP13.19
Rot. Bonds3

About nickel(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate

nickel(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate (PubChem CID 139146112) has the molecular formula C30H24F12N6NiP2 and a molecular weight of 817.18 g/mol. Its IUPAC name is nickel(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate.

Molecular Properties

Compound Namenickel(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate
PubChem CID139146112
Molecular FormulaC30H24F12N6NiP2
Molecular Weight817.18 g/mol
Exact Mass816.07
IUPAC Namenickel(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ni+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.2F6P.Ni/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2
InChIKeyPLUOFIGMNBPKCB-UHFFFAOYSA-N
XLogP13.19
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.18
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Tris[2,2'-bipyridine]ruthenium dichloride
CID 84353
Iron(2+), tris(2,2'-bipyridine-N,N')-, dichloride
CID 203609
Iron, tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-
CID 3032636
Tris(2,2'-bipyridine)ruthenium(II) Bis(hexafluorophosphate)
CID 15198703
Tris(2,2'-bipyridyl-d8)ruthenium(II) hexafluorophosphate
CID 71311090
Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridyl)-Fe(II) complex
CID 193497
2,2':6',2''-Terpyridine, 6,6'''-(1,6-hexanediyl)bis-
CID 3044372
2,2':6',2''-Terpyridine, 6,6'''-(1,7-heptanediyl)bis-
CID 3044374
2,2':6',2''-Terpyridine, 6,6'''-(3-hexene-1,6-diyl)bis-
CID 6446331
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992

Frequently Asked Questions

What is the IUPAC name of nickel(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate?
The IUPAC name of nickel(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate (CID 139146112) is nickel(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate.
What is the SMILES notation for nickel(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate?
The canonical SMILES for nickel(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ni+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of nickel(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate?
The InChIKey is PLUOFIGMNBPKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H8N2.2F6P.Ni/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2.
What are the key properties of nickel(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate?
nickel(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate has a molecular weight of 817.18 g/mol, XLogP of 13.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);tris(2-pyridin-2-ylpyridine);dihexafluorophosphate is sourced from PubChem (CID 139146112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).