copper;bis(5,7-disulfoquinolin-8-olate);tetrakis(N-ethylethanamine)

C34H56CuN6O14S4 — CID 24836908

IUPACcopper;bis(5,7-disulfoquinolin-8-olate);tetrakis(N-ethylethanamine)
SMILESCCNCC.CCNCC.CCNCC.CCNCC.O=S(=O)(O)c1cc(S(=O)(=O)O)c2cccnc2c1[O-].O=S(=O)(O)c1cc(S(=O)(=O)O)c2cccnc2c1[O-].[Cu+2]
InChIInChI=1S/2C9H7NO7S2.4C4H11N.Cu/c2*11-9-7(19(15,16)17)4-6(18(12,13)14)5-2-1-3-10-8(5)9;4*1-3-5-4-2;/h2*1-4,11H,(H,12,13,14)(H,15,16,17);4*5H,3-4H2,1-2H3;/q;;;;;;+2/p-2
InChIKeyNHRTVBMNRNCBLQ-UHFFFAOYSA-L
MW964.66 g/mol
LogP2.06
Rot. Bonds12

About copper;bis(5,7-disulfoquinolin-8-olate);tetrakis(N-ethylethanamine)

copper;bis(5,7-disulfoquinolin-8-olate);tetrakis(N-ethylethanamine) (PubChem CID 24836908) has the molecular formula C34H56CuN6O14S4 and a molecular weight of 964.66 g/mol. Its IUPAC name is copper;bis(5,7-disulfoquinolin-8-olate);tetrakis(N-ethylethanamine).

Molecular Properties

Compound Namecopper;bis(5,7-disulfoquinolin-8-olate);tetrakis(N-ethylethanamine)
PubChem CID24836908
Molecular FormulaC34H56CuN6O14S4
Molecular Weight964.66 g/mol
Exact Mass963.20
IUPAC Namecopper;bis(5,7-disulfoquinolin-8-olate);tetrakis(N-ethylethanamine)
SMILESCCNCC.CCNCC.CCNCC.CCNCC.O=S(=O)(O)c1cc(S(=O)(=O)O)c2cccnc2c1[O-].O=S(=O)(O)c1cc(S(=O)(=O)O)c2cccnc2c1[O-].[Cu+2]
InChIInChI=1S/2C9H7NO7S2.4C4H11N.Cu/c2*11-9-7(19(15,16)17)4-6(18(12,13)14)5-2-1-3-10-8(5)9;4*1-3-5-4-2;/h2*1-4,11H,(H,12,13,14)(H,15,16,17);4*5H,3-4H2,1-2H3;/q;;;;;;+2/p-2
InChIKeyNHRTVBMNRNCBLQ-UHFFFAOYSA-L
XLogP2.06
TPSA337.50 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500964.66
LogP ≤ 52.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Cuproxoline
CID 71855
Bis(5-sulfo-8-quinolinolato)manganese
CID 27456
Zinc(II), bis(5-sulfo-8-quinolinolato-N(sup 1),O(sup 8))-
CID 203457
Bis(5-sulfo-8-quinolinolato)cobalt
CID 204136
Bis(8-hydroxyquinoline-5-sulfonic acid);ZINC
CID 4019772
Hexaoxidanium;bis(7-iodo-8-oxidoquinoline-5-sulfonate);bis(nickel(2+));tetrahydrate
CID 168308642
Zinc ferron pentahydrate
CID 168308652
Copper ferron hexahydrate
CID 168308678
Bis(2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole);bis(8-oxidoquinoline-5-sulfonate);platinum(4+);bis(1,1,2-trichloroethane)
CID 168349920
Tris(2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-dithiole);bis(8-oxidoquinoline-5-sulfonate);platinum(4+)
CID 168349921
Bis(hydrogen 8-hydroxy-5-quinolinesulfonato)copper
CID 190214
Einecs 282-146-7
CID 91844637

Frequently Asked Questions

What is the IUPAC name of copper;bis(5,7-disulfoquinolin-8-olate);tetrakis(N-ethylethanamine)?
The IUPAC name of copper;bis(5,7-disulfoquinolin-8-olate);tetrakis(N-ethylethanamine) (CID 24836908) is copper;bis(5,7-disulfoquinolin-8-olate);tetrakis(N-ethylethanamine).
What is the SMILES notation for copper;bis(5,7-disulfoquinolin-8-olate);tetrakis(N-ethylethanamine)?
The canonical SMILES for copper;bis(5,7-disulfoquinolin-8-olate);tetrakis(N-ethylethanamine) is CCNCC.CCNCC.CCNCC.CCNCC.O=S(=O)(O)c1cc(S(=O)(=O)O)c2cccnc2c1[O-].O=S(=O)(O)c1cc(S(=O)(=O)O)c2cccnc2c1[O-].[Cu+2].
What is the InChIKey of copper;bis(5,7-disulfoquinolin-8-olate);tetrakis(N-ethylethanamine)?
The InChIKey is NHRTVBMNRNCBLQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7NO7S2.4C4H11N.Cu/c2*11-9-7(19(15,16)17)4-6(18(12,13)14)5-2-1-3-10-8(5)9;4*1-3-5-4-2;/h2*1-4,11H,(H,12,13,14)(H,15,16,17);4*5H,3-4H2,1-2H3;/q;;;;;;+2/p-2.
What are the key properties of copper;bis(5,7-disulfoquinolin-8-olate);tetrakis(N-ethylethanamine)?
copper;bis(5,7-disulfoquinolin-8-olate);tetrakis(N-ethylethanamine) has a molecular weight of 964.66 g/mol, XLogP of 2.06, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(5,7-disulfoquinolin-8-olate);tetrakis(N-ethylethanamine) is sourced from PubChem (CID 24836908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).