copper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate

C24H12CuF18N4P — CID 139200509

IUPACcopper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate
SMILESFC(F)(F)c1cccc(-c2cccc(C(F)(F)F)n2)n1.FC(F)(F)c1cccc(-c2cccc(C(F)(F)F)n2)n1.F[P-](F)(F)(F)(F)F.[Cu+]
InChIInChI=1S/2C12H6F6N2.Cu.F6P/c2*13-11(14,15)9-5-1-3-7(19-9)8-4-2-6-10(20-8)12(16,17)18;;1-7(2,3,4,5)6/h2*1-6H;;/q;;+1;-1
InChIKeyNVKDRCZHEORLEP-UHFFFAOYSA-N
MW792.87 g/mol
LogP11.74
Rot. Bonds2

About copper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate

copper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate (PubChem CID 139200509) has the molecular formula C24H12CuF18N4P and a molecular weight of 792.87 g/mol. Its IUPAC name is copper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate.

Molecular Properties

Compound Namecopper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate
PubChem CID139200509
Molecular FormulaC24H12CuF18N4P
Molecular Weight792.87 g/mol
Exact Mass791.98
IUPAC Namecopper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate
SMILESFC(F)(F)c1cccc(-c2cccc(C(F)(F)F)n2)n1.FC(F)(F)c1cccc(-c2cccc(C(F)(F)F)n2)n1.F[P-](F)(F)(F)(F)F.[Cu+]
InChIInChI=1S/2C12H6F6N2.Cu.F6P/c2*13-11(14,15)9-5-1-3-7(19-9)8-4-2-6-10(20-8)12(16,17)18;;1-7(2,3,4,5)6/h2*1-6H;;/q;;+1;-1
InChIKeyNVKDRCZHEORLEP-UHFFFAOYSA-N
XLogP11.74
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.87
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bis(2,2'-bipyridine-kappa^2^N,N')copper(I) trifluoromethanesulfonate
CID 139069240
Bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate
CID 71593028
2-(2,4-Difluorobenzene-6-id-1-yl)-6-[difluoro-(6-phenyl-2-pyridinyl)methyl]pyridine;platinum(2+)
CID 59646058
Bis(bis[2,6-bis(trifluoromethyl)-3-pyridinyl]-cyclopenta-1,3-dien-1-ylphosphane);iron(2+)
CID 157499774
1,3,5,7-Tetrakis[2,6-bis(trifluoromethyl)-4-pyridinyl]pyrrolo[3,4-f]isoindole
CID 171545363
2-Methyl-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine;2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine
CID 177002668
Bis(M2-Oxo)-Bis(2-Methyl-2,2'-Bipyridine)-Di-Gold(Iii)
CID 127021008
Gold;bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate
CID 137348951
bis(6,6'-dibromo-2,2'-bipyridyl)copper(I) tetrafluoroborate
CID 139056348
(Dicyanamido)bis(2,2'-bipyridine)copper(II) tetrafluoroborate
CID 139058173
Bis(6,6'-dimethyl-2,2'-bipyridine)copper(I) perchlorate
CID 139067338
Bis(bipyridine-kappa^2^N,N')nitratocopper(II) hexafluorophosphate
CID 139069582

Frequently Asked Questions

What is the IUPAC name of copper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate?
The IUPAC name of copper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate (CID 139200509) is copper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate.
What is the SMILES notation for copper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate?
The canonical SMILES for copper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate is FC(F)(F)c1cccc(-c2cccc(C(F)(F)F)n2)n1.FC(F)(F)c1cccc(-c2cccc(C(F)(F)F)n2)n1.F[P-](F)(F)(F)(F)F.[Cu+].
What is the InChIKey of copper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate?
The InChIKey is NVKDRCZHEORLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H6F6N2.Cu.F6P/c2*13-11(14,15)9-5-1-3-7(19-9)8-4-2-6-10(20-8)12(16,17)18;;1-7(2,3,4,5)6/h2*1-6H;;/q;;+1;-1.
What are the key properties of copper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate?
copper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate has a molecular weight of 792.87 g/mol, XLogP of 11.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate is sourced from PubChem (CID 139200509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).