disilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline)

C34H18Ag2F12N4O4 — CID 139171199

IUPACdisilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline)
SMILESO=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.[Ag+].[Ag+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C5H2F6O2.2Ag/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*1-8H;2*1,12H;;/q;;;;2*+1/p-2/b;;2*2-1-;;
InChIKeyCZASAOMFTVYRSD-POZBJOMUSA-L
MW990.25 g/mol
LogP7.41
Rot. Bonds2

About disilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline)

disilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline) (PubChem CID 139171199) has the molecular formula C34H18Ag2F12N4O4 and a molecular weight of 990.25 g/mol. Its IUPAC name is disilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline).

Molecular Properties

Compound Namedisilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline)
PubChem CID139171199
Molecular FormulaC34H18Ag2F12N4O4
Molecular Weight990.25 g/mol
Exact Mass987.92
IUPAC Namedisilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline)
SMILESO=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.[Ag+].[Ag+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C5H2F6O2.2Ag/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*1-8H;2*1,12H;;/q;;;;2*+1/p-2/b;;2*2-1-;;
InChIKeyCZASAOMFTVYRSD-POZBJOMUSA-L
XLogP7.41
TPSA131.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.25
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Silver;bis(1,10-phenanthroline);trifluoromethanesulfonate
CID 15843295
Bis(1,10-phenanthroline)platinum(II)
CID 162394466
Tris(1,10-phenanthroline)ruthenium(2+)
CID 9548754
Bis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate)
CID 139041802
ZINC;bis(1,10-phenanthroline);bis(trifluoromethanesulfonate)
CID 139048112
Bis(1,10-phenanthroline)(dicyanamido)copper(II) trifluoromethanesulfonate
CID 139058873
Tris(1,10-phenanthroline-kappa^2^N,N')iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate
CID 139087157
Bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);bromide;hydrate
CID 139130762
bis(europium(3+));bis(1,10-phenanthroline);hexakis((1Z)-2,2,2-trifluoro-1-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]ethanolate)
CID 139137386
[Cr(phen)3](OTf)2
CID 139137425
bis(1,10-phenanthroline);bis(terbium(3+));pentakis((Z)-1,1,1-trifluoro-5,5-dimethyl-4-oxohex-2-en-2-olate);(Z)-6,6,6-trifluoro-2,2-dimethyl-5-oxohex-3-en-3-olate
CID 139144078
bis(neodymium(3+));hexakis((Z)-4,4,5,5,5-pentafluoro-1-naphthalen-2-yl-1-oxopent-2-en-3-olate);bis(1,10-phenanthroline)
CID 139149220

Frequently Asked Questions

What is the IUPAC name of disilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline)?
The IUPAC name of disilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline) (CID 139171199) is disilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline).
What is the SMILES notation for disilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline)?
The canonical SMILES for disilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline) is 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.[Ag+].[Ag+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of disilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline)?
The InChIKey is CZASAOMFTVYRSD-POZBJOMUSA-L. The full InChI is InChI=1S/2C12H8N2.2C5H2F6O2.2Ag/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*1-8H;2*1,12H;;/q;;;;2*+1/p-2/b;;2*2-1-;;.
What are the key properties of disilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline)?
disilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline) has a molecular weight of 990.25 g/mol, XLogP of 7.41, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline) is sourced from PubChem (CID 139171199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).