copper;tetrakis(4-phenylpyridine);bis(propan-2-one);dihexafluorophosphate

C50H48CuF12N4O2P2 — CID 139181480

IUPACcopper;tetrakis(4-phenylpyridine);bis(propan-2-one);dihexafluorophosphate
SMILESCC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+2].c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/4C11H9N.2C3H6O.Cu.2F6P/c4*1-2-4-10(5-3-1)11-6-8-12-9-7-11;2*1-3(2)4;;2*1-7(2,3,4,5)6/h4*1-9H;2*1-2H3;;;/q;;;;;;+2;2*-1
InChIKeyJTIWPKCVKAAKJK-UHFFFAOYSA-N
MW1090.43 g/mol
LogP18.95
Rot. Bonds4

About copper;tetrakis(4-phenylpyridine);bis(propan-2-one);dihexafluorophosphate

copper;tetrakis(4-phenylpyridine);bis(propan-2-one);dihexafluorophosphate (PubChem CID 139181480) has the molecular formula C50H48CuF12N4O2P2 and a molecular weight of 1090.43 g/mol. Its IUPAC name is copper;tetrakis(4-phenylpyridine);bis(propan-2-one);dihexafluorophosphate.

Molecular Properties

Compound Namecopper;tetrakis(4-phenylpyridine);bis(propan-2-one);dihexafluorophosphate
PubChem CID139181480
Molecular FormulaC50H48CuF12N4O2P2
Molecular Weight1090.43 g/mol
Exact Mass1089.24
IUPAC Namecopper;tetrakis(4-phenylpyridine);bis(propan-2-one);dihexafluorophosphate
SMILESCC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+2].c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/4C11H9N.2C3H6O.Cu.2F6P/c4*1-2-4-10(5-3-1)11-6-8-12-9-7-11;2*1-3(2)4;;2*1-7(2,3,4,5)6/h4*1-9H;2*1-2H3;;;/q;;;;;;+2;2*-1
InChIKeyJTIWPKCVKAAKJK-UHFFFAOYSA-N
XLogP18.95
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.43
LogP ≤ 518.95
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

1-[[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-[1-[[3-[[4-[4-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]phenyl]pyridin-1-ium-1-yl]methyl]-5-[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium heptadecahexafluorophosphate
CID 46889633
1-[3,5-Bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]-4-[1-[3,5-bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium hexacosahexafluorophosphate
CID 46889635
Cyclobis(paraquat-1,4-phenylene) Tetrakis(hexafluorophosphate)
CID 11040455
1,1,2,2-Tetrakis(4-(pyridin-4-yl)phenyl)ethene
CID 90642886
1-[[3,5-Bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium octadecahexafluorophosphate
CID 46871630
1-[[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium hexahexafluorophosphate
CID 46889627
1-[[3,5-Bis[[4-(1-ethenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-(1-ethenylpyridin-1-ium-4-yl)pyridin-1-ium hexahexafluorophosphate
CID 46889629
2-[4-[1-[[3,5-Bis[[4-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethanol hexahexafluorophosphate
CID 46889631
1-[[3,5-Bis[[4-[1-[[3,5-bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-[1-[[3,5-bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium dotetracontahexafluorophosphate
CID 71450127
B4PyMFB
CID 122209952
tricopper;hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);hexakis(1-oxido-4-phenylpyridin-1-ium)
CID 139080068
Copper;tetrakis(4-phenylpyridine);bis(trifluoromethanesulfonate);tetrakis(1,2-xylene)
CID 168351778

Frequently Asked Questions

What is the IUPAC name of copper;tetrakis(4-phenylpyridine);bis(propan-2-one);dihexafluorophosphate?
The IUPAC name of copper;tetrakis(4-phenylpyridine);bis(propan-2-one);dihexafluorophosphate (CID 139181480) is copper;tetrakis(4-phenylpyridine);bis(propan-2-one);dihexafluorophosphate.
What is the SMILES notation for copper;tetrakis(4-phenylpyridine);bis(propan-2-one);dihexafluorophosphate?
The canonical SMILES for copper;tetrakis(4-phenylpyridine);bis(propan-2-one);dihexafluorophosphate is CC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+2].c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.
What is the InChIKey of copper;tetrakis(4-phenylpyridine);bis(propan-2-one);dihexafluorophosphate?
The InChIKey is JTIWPKCVKAAKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H9N.2C3H6O.Cu.2F6P/c4*1-2-4-10(5-3-1)11-6-8-12-9-7-11;2*1-3(2)4;;2*1-7(2,3,4,5)6/h4*1-9H;2*1-2H3;;;/q;;;;;;+2;2*-1.
What are the key properties of copper;tetrakis(4-phenylpyridine);bis(propan-2-one);dihexafluorophosphate?
copper;tetrakis(4-phenylpyridine);bis(propan-2-one);dihexafluorophosphate has a molecular weight of 1090.43 g/mol, XLogP of 18.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tetrakis(4-phenylpyridine);bis(propan-2-one);dihexafluorophosphate is sourced from PubChem (CID 139181480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).