tetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+))

C64H24F48N8O8Pd4 — CID 139180942

IUPACtetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+))
SMILESFC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/4C11H5F6N2.4C5H2F6O2.4Pd/c4*12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7;4*6-4(7,8)2(12)1-3(13)5(9,10)11;;;;/h4*1-5H;4*1,12H;;;;/q4*-1;;;;;4*+2/p-4/b;;;;4*2-1-;;;;
InChIKeySEZZVVHPUFTGRJ-SGIUDBHNSA-J
MW2370.53 g/mol
LogP18.66
Rot. Bonds8

About tetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+))

tetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+)) (PubChem CID 139180942) has the molecular formula C64H24F48N8O8Pd4 and a molecular weight of 2370.53 g/mol. Its IUPAC name is tetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+)).

Molecular Properties

Compound Nametetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+))
PubChem CID139180942
Molecular FormulaC64H24F48N8O8Pd4
Molecular Weight2370.53 g/mol
Exact Mass2367.71
IUPAC Nametetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+))
SMILESFC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/4C11H5F6N2.4C5H2F6O2.4Pd/c4*12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7;4*6-4(7,8)2(12)1-3(13)5(9,10)11;;;;/h4*1-5H;4*1,12H;;;;/q4*-1;;;;;4*+2/p-4/b;;;;4*2-1-;;;;
InChIKeySEZZVVHPUFTGRJ-SGIUDBHNSA-J
XLogP18.66
TPSA268.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002370.53
LogP ≤ 518.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[mu-1,2-Bis(4-pyridyl)ethane-kappa^2^N:N']bis[(4'-phenyl-2,2':6',2''-terpyridine-kappa^3^N,N',N'')silver(I)] bis(trifluoromethanesulfonate)
CID 139080008
Bis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);iron(2+);oxolane
CID 139139614
Bis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);nickel(2+);oxolane
CID 139139981
benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+))
CID 139154706
hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lanthanum(3+));bis(2-pyridin-2-ylpyridine)
CID 139173571
Gross107 (Sudhakar)
CID 139174614
cobalt(3+);(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;bis(4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]pyridine)
CID 139198427
5-[(1S,2S)-1,2-dimethyl-14-(6-pyridin-2-yl-3-pyridinyl)-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]-2-pyridin-2-ylpyridine;bis(dysprosium(3+));heptane;hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 168305838
bis(N,N'-dimethyl-N,N'-bis[(5-methyl-2-pyridinyl)methyl]ethane-1,2-diamine);bis(iron(4+));tetrakis(trifluoromethanesulfonate)
CID 168333139
bis(acetonitrile);3,6-bis[(4-propan-2-ylphenyl)imino]cyclohexa-1,4-diene-1,4-diolate;bis(iron(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(trifluoromethanesulfonate)
CID 168344733
2,6-Dipyridin-2-ylpyridine;propan-2-one;pyridine;ruthenium(2+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;dihexafluorophosphate
CID 168348690
Bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+)
CID 58510471

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+))?
The IUPAC name of tetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+)) (CID 139180942) is tetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+)).
What is the SMILES notation for tetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+))?
The canonical SMILES for tetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+)) is FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Pd+2].[Pd+2].[Pd+2].[Pd+2].
What is the InChIKey of tetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+))?
The InChIKey is SEZZVVHPUFTGRJ-SGIUDBHNSA-J. The full InChI is InChI=1S/4C11H5F6N2.4C5H2F6O2.4Pd/c4*12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7;4*6-4(7,8)2(12)1-3(13)5(9,10)11;;;;/h4*1-5H;4*1,12H;;;;/q4*-1;;;;;4*+2/p-4/b;;;;4*2-1-;;;;.
What are the key properties of tetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+))?
tetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+)) has a molecular weight of 2370.53 g/mol, XLogP of 18.66, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+)) is sourced from PubChem (CID 139180942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).