bis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide)

C52H40Cu2F24N6O12 — CID 139130316

IUPACbis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide)
SMILESCC1(C)[N+](=O)C(c2ccnc3ccccc23)=[N+]([O-])C1(C)C.CC1(C)[N+](=O)C(c2ccnc3ccccc23)=[N+]([O-])C1(C)C.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.[Cu+].[Cu+]
InChIInChI=1S/2C16H18N3O2.4C5H2F6O2.2Cu/c2*1-15(2)16(3,4)19(21)14(18(15)20)12-9-10-17-13-8-6-5-7-11(12)13;4*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*5-10H,1-4H3;4*1,12H;;/q2*+1;;;;;2*+1/p-4/b;;4*2-1-;;
InChIKeyOPLBZVALJTUZSM-LFJFLIJASA-J
MW1523.97 g/mol
LogP9.38
Rot. Bonds6

About bis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide)

bis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide) (PubChem CID 139130316) has the molecular formula C52H40Cu2F24N6O12 and a molecular weight of 1523.97 g/mol. Its IUPAC name is bis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide).

Molecular Properties

Compound Namebis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide)
PubChem CID139130316
Molecular FormulaC52H40Cu2F24N6O12
Molecular Weight1523.97 g/mol
Exact Mass1522.09
IUPAC Namebis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide)
SMILESCC1(C)[N+](=O)C(c2ccnc3ccccc23)=[N+]([O-])C1(C)C.CC1(C)[N+](=O)C(c2ccnc3ccccc23)=[N+]([O-])C1(C)C.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.[Cu+].[Cu+]
InChIInChI=1S/2C16H18N3O2.4C5H2F6O2.2Cu/c2*1-15(2)16(3,4)19(21)14(18(15)20)12-9-10-17-13-8-6-5-7-11(12)13;4*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*5-10H,1-4H3;4*1,12H;;/q2*+1;;;;;2*+1/p-4/b;;4*2-1-;;
InChIKeyOPLBZVALJTUZSM-LFJFLIJASA-J
XLogP9.38
TPSA278.60 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001523.97
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze bis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide) with MolForge

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Launch Full Analysis

Related Compounds

bis(tert-butyl-oxo-(3-pyridin-3-ylphenyl)azanium);bis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 139129706
Bis-4-pyridil-nitronylnitroxide-bis-2-phenyl-trifluoroacetylacetonate-copper
CID 139149734
copper;copper(1+);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);4,4,5,5-tetramethyl-2-(2-methyl-3-pyridinyl)-3-oxidoimidazole-1,3-diium 1-oxide;hydrate
CID 168345572
hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);octane;terbium;bis(4,4,5,5-tetramethyl-3-oxido-2-pyridin-2-ylimidazole-1,3-diium 1-oxide)
CID 139132021

Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide)?
The IUPAC name of bis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide) (CID 139130316) is bis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide).
What is the SMILES notation for bis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide)?
The canonical SMILES for bis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide) is CC1(C)[N+](=O)C(c2ccnc3ccccc23)=[N+]([O-])C1(C)C.CC1(C)[N+](=O)C(c2ccnc3ccccc23)=[N+]([O-])C1(C)C.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.[Cu+].[Cu+].
What is the InChIKey of bis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide)?
The InChIKey is OPLBZVALJTUZSM-LFJFLIJASA-J. The full InChI is InChI=1S/2C16H18N3O2.4C5H2F6O2.2Cu/c2*1-15(2)16(3,4)19(21)14(18(15)20)12-9-10-17-13-8-6-5-7-11(12)13;4*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*5-10H,1-4H3;4*1,12H;;/q2*+1;;;;;2*+1/p-4/b;;4*2-1-;;.
What are the key properties of bis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide)?
bis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide) has a molecular weight of 1523.97 g/mol, XLogP of 9.38, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(4,4,5,5-tetramethyl-3-oxido-2-quinolin-4-ylimidazole-1,3-diium 1-oxide) is sourced from PubChem (CID 139130316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).