tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate)

C34H18Cu3N4O12 — CID 70528464

IUPACtricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate)
SMILESO=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1cccnc1C(=O)[O-].O=C([O-])c1cccnc1C(=O)[O-].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/2C10H7NO2.2C7H5NO4.3Cu/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;2*9-6(10)4-2-1-3-8-5(4)7(11)12;;;/h2*1-6H,(H,12,13);2*1-3H,(H,9,10)(H,11,12);;;/q;;;;3*+2/p-6
InChIKeyHHMNLHWIBWSNTN-UHFFFAOYSA-H
MW865.17 g/mol
LogP-3.19
Rot. Bonds6

About tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate)

tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate) (PubChem CID 70528464) has the molecular formula C34H18Cu3N4O12 and a molecular weight of 865.17 g/mol. Its IUPAC name is tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate).

Molecular Properties

Compound Nametricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate)
PubChem CID70528464
Molecular FormulaC34H18Cu3N4O12
Molecular Weight865.17 g/mol
Exact Mass862.88
IUPAC Nametricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate)
SMILESO=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1cccnc1C(=O)[O-].O=C([O-])c1cccnc1C(=O)[O-].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/2C10H7NO2.2C7H5NO4.3Cu/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;2*9-6(10)4-2-1-3-8-5(4)7(11)12;;;/h2*1-6H,(H,12,13);2*1-3H,(H,9,10)(H,11,12);;;/q;;;;3*+2/p-6
InChIKeyHHMNLHWIBWSNTN-UHFFFAOYSA-H
XLogP-3.19
TPSA292.34 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.17
LogP ≤ 5-3.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

copper(1+);quinoline-2-carboxylate
CID 159046158
iridium(3+);tris(quinoline-2-carboxylate)
CID 161052613
tris(quinoline-2-carboxylate);ruthenium(3+)
CID 15777317
chromium(3+);tris(quinoline-2-carboxylate)
CID 86616048
bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)
CID 175903843
bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate
CID 139158745
copper;bis(2-methylbenzoate);1,10-phenanthroline
CID 139081296
lithium 1,10-phenanthroline-2-carboxylate
CID 158215060
1,10-phenanthroline-2-carboxylate;terbium(3+)
CID 161309891
pyridine-2,3-dicarboxylic acid;quinoline
CID 158705620
manganese;bis(quinoline-2-carboxylic acid);benzoate
CID 139073952
quinoline-2-carboxamide;quinoxaline
CID 159476975

Frequently Asked Questions

What is the IUPAC name of tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate)?
The IUPAC name of tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate) (CID 70528464) is tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate).
What is the SMILES notation for tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate)?
The canonical SMILES for tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate) is O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1cccnc1C(=O)[O-].O=C([O-])c1cccnc1C(=O)[O-].[Cu+2].[Cu+2].[Cu+2].
What is the InChIKey of tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate)?
The InChIKey is HHMNLHWIBWSNTN-UHFFFAOYSA-H. The full InChI is InChI=1S/2C10H7NO2.2C7H5NO4.3Cu/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;2*9-6(10)4-2-1-3-8-5(4)7(11)12;;;/h2*1-6H,(H,12,13);2*1-3H,(H,9,10)(H,11,12);;;/q;;;;3*+2/p-6.
What are the key properties of tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate)?
tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate) has a molecular weight of 865.17 g/mol, XLogP of -3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate) is sourced from PubChem (CID 70528464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).