copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline)

C34H29CuN6O10- — CID 54716164

IUPACcopper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline)
SMILESCc1ccc2cc([N+](=O)[O-])c3ccc(C)nc3c2n1.Cc1ccc2cc([N+](=O)[O-])c3ccc(C)nc3c2n1.O=C1OC(C(O)C[O-])C(O)=C1O.[Cu]
InChIInChI=1S/2C14H11N3O2.C6H7O6.Cu/c2*1-8-3-5-10-7-12(17(18)19)11-6-4-9(2)16-14(11)13(10)15-8;7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*3-7H,1-2H3;2,5,8-10H,1H2;/q;;-1;
InChIKeyIAYNLXZVYRSBHI-UHFFFAOYSA-N
MW745.18 g/mol
LogP4.57
Rot. Bonds4

About copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline)

copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline) (PubChem CID 54716164) has the molecular formula C34H29CuN6O10- and a molecular weight of 745.18 g/mol. Its IUPAC name is copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline).

Molecular Properties

Compound Namecopper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline)
PubChem CID54716164
Molecular FormulaC34H29CuN6O10-
Molecular Weight745.18 g/mol
Exact Mass744.12
IUPAC Namecopper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline)
SMILESCc1ccc2cc([N+](=O)[O-])c3ccc(C)nc3c2n1.Cc1ccc2cc([N+](=O)[O-])c3ccc(C)nc3c2n1.O=C1OC(C(O)C[O-])C(O)=C1O.[Cu]
InChIInChI=1S/2C14H11N3O2.C6H7O6.Cu/c2*1-8-3-5-10-7-12(17(18)19)11-6-4-9(2)16-14(11)13(10)15-8;7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*3-7H,1-2H3;2,5,8-10H,1H2;/q;;-1;
InChIKeyIAYNLXZVYRSBHI-UHFFFAOYSA-N
XLogP4.57
TPSA247.89 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.18
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline)?
The IUPAC name of copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline) (CID 54716164) is copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline).
What is the SMILES notation for copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline)?
The canonical SMILES for copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline) is Cc1ccc2cc([N+](=O)[O-])c3ccc(C)nc3c2n1.Cc1ccc2cc([N+](=O)[O-])c3ccc(C)nc3c2n1.O=C1OC(C(O)C[O-])C(O)=C1O.[Cu].
What is the InChIKey of copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline)?
The InChIKey is IAYNLXZVYRSBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H11N3O2.C6H7O6.Cu/c2*1-8-3-5-10-7-12(17(18)19)11-6-4-9(2)16-14(11)13(10)15-8;7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*3-7H,1-2H3;2,5,8-10H,1H2;/q;;-1;.
What are the key properties of copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline)?
copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline) has a molecular weight of 745.18 g/mol, XLogP of 4.57, 4 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate;bis(2,9-dimethyl-5-nitro-1,10-phenanthroline) is sourced from PubChem (CID 54716164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).