copper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate)

C34H56CuN6O14S4 — CID 118855960

IUPACcopper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate)
SMILESCCNCC.CCNCC.CCNCC.CCNCC.O=S(=O)([O-])c1cc(S(=O)(=O)O)c2cccnc2c1O.O=S(=O)([O-])c1cc(S(=O)(=O)O)c2cccnc2c1O.[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
LogP2.64
Rot. Bonds12

About copper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate)

copper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate) (PubChem CID 118855960) has the molecular formula C34H56CuN6O14S4 and a molecular weight of 964.66 g/mol. Its IUPAC name is copper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate).

Molecular Properties

Compound Namecopper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate)
PubChem CID118855960
Molecular FormulaC34H56CuN6O14S4
Molecular Weight964.66 g/mol
Exact Mass963.20
IUPAC Namecopper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate)
SMILESCCNCC.CCNCC.CCNCC.CCNCC.O=S(=O)([O-])c1cc(S(=O)(=O)O)c2cccnc2c1O.O=S(=O)([O-])c1cc(S(=O)(=O)O)c2cccnc2c1O.[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
XLogP2.64
TPSA337.50 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500964.66
LogP ≤ 52.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxyquinoline-5-sulfonate
CID 5260546
sodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate
CID 23696930
sodium 8-hydroxyquinoline-5-sulfonate
CID 23719445
CID 173241757
CID 173241757
8-hydroxy-7-[(2-methylsulfanylphenyl)diazenyl]quinoline-5-sulfonic acid
CID 136704038
8-hydroxy-7-[(E)-[[(E)-4-[(2E)-2-[(8-hydroxy-5-sulfoquinolin-7-yl)methylidene]hydrazinyl]-4-oxobut-2-enoyl]hydrazinylidene]methyl]quinoline-5-sulfonic acid
CID 135484900
8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid
CID 135974849
5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate
CID 137142938
CID 135788850
CID 135788850
8-Ethoxy-5-quinolinesulfonic acid sodium salt monohydrate
CID 45157436
8-hydroxy-7-[2-[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl-[2-[(8-hydroxy-5-sulfoquinoline-7-carbonyl)amino]ethyl]amino]ethylcarbamoyl]quinoline-5-sulfonic acid;iodoethane;sulfur trioxide
CID 159354698
8-hydroxy-7-[[4-[(Z)-2-[4-[(8-hydroxy-5-sulfoquinolin-7-yl)methylideneamino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]iminomethyl]quinoline-5-sulfonic acid
CID 135499365

Frequently Asked Questions

What is the IUPAC name of copper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate)?
The IUPAC name of copper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate) (CID 118855960) is copper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate).
What is the SMILES notation for copper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate)?
The canonical SMILES for copper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate) is CCNCC.CCNCC.CCNCC.CCNCC.O=S(=O)([O-])c1cc(S(=O)(=O)O)c2cccnc2c1O.O=S(=O)([O-])c1cc(S(=O)(=O)O)c2cccnc2c1O.[Cu+2].
What is the InChIKey of copper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate)?
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;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate)?
copper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate) has a molecular weight of 964.66 g/mol, XLogP of 2.64, 12 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate) is sourced from PubChem (CID 118855960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).