copper;tetrakis(N-ethylethanamine);hydron;bis(8-hydroxyquinoline-5,7-disulfonic acid)

C34H62CuN6O14S4+4 — CID 91844637

IUPACcopper;tetrakis(N-ethylethanamine);hydron;bis(8-hydroxyquinoline-5,7-disulfonic acid)
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].[H+].[H+].[H+].[H+]
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;/p+4
InChIKeyHLEVQOBLEXKJQG-UHFFFAOYSA-R
MW970.71 g/mol
LogP3.78
Rot. Bonds12

About copper;tetrakis(N-ethylethanamine);hydron;bis(8-hydroxyquinoline-5,7-disulfonic acid)

copper;tetrakis(N-ethylethanamine);hydron;bis(8-hydroxyquinoline-5,7-disulfonic acid) (PubChem CID 91844637) has the molecular formula C34H62CuN6O14S4+4 and a molecular weight of 970.71 g/mol. Its IUPAC name is copper;tetrakis(N-ethylethanamine);hydron;bis(8-hydroxyquinoline-5,7-disulfonic acid).

Molecular Properties

Compound Namecopper;tetrakis(N-ethylethanamine);hydron;bis(8-hydroxyquinoline-5,7-disulfonic acid)
PubChem CID91844637
Molecular FormulaC34H62CuN6O14S4+4
Molecular Weight970.71 g/mol
Exact Mass969.25
IUPAC Namecopper;tetrakis(N-ethylethanamine);hydron;bis(8-hydroxyquinoline-5,7-disulfonic acid)
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].[H+].[H+].[H+].[H+]
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;/p+4
InChIKeyHLEVQOBLEXKJQG-UHFFFAOYSA-R
XLogP3.78
TPSA331.84 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500970.71
LogP ≤ 53.78
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;tetrakis(N-ethylethanamine);hydron;bis(8-hydroxyquinoline-5,7-disulfonic acid)?
The IUPAC name of copper;tetrakis(N-ethylethanamine);hydron;bis(8-hydroxyquinoline-5,7-disulfonic acid) (CID 91844637) is copper;tetrakis(N-ethylethanamine);hydron;bis(8-hydroxyquinoline-5,7-disulfonic acid).
What is the SMILES notation for copper;tetrakis(N-ethylethanamine);hydron;bis(8-hydroxyquinoline-5,7-disulfonic acid)?
The canonical SMILES for copper;tetrakis(N-ethylethanamine);hydron;bis(8-hydroxyquinoline-5,7-disulfonic acid) 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].[H+].[H+].[H+].[H+].
What is the InChIKey of copper;tetrakis(N-ethylethanamine);hydron;bis(8-hydroxyquinoline-5,7-disulfonic acid)?
The InChIKey is HLEVQOBLEXKJQG-UHFFFAOYSA-R. 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;/p+4.
What are the key properties of copper;tetrakis(N-ethylethanamine);hydron;bis(8-hydroxyquinoline-5,7-disulfonic acid)?
copper;tetrakis(N-ethylethanamine);hydron;bis(8-hydroxyquinoline-5,7-disulfonic acid) has a molecular weight of 970.71 g/mol, XLogP of 3.78, 12 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tetrakis(N-ethylethanamine);hydron;bis(8-hydroxyquinoline-5,7-disulfonic acid) is sourced from PubChem (CID 91844637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).