tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate)

C32H20Cu3N2O8 — CID 69050117

IUPACtricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate)
SMILESO=C([O-])c1ccccc1[O-].O=C([O-])c1ccccc1[O-].[Cu+2].[Cu+2].[Cu+2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/2C9H7NO.2C7H6O3.3Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*8-6-4-2-1-3-5(6)7(9)10;;;/h2*1-6,11H;2*1-4,8H,(H,9,10);;;/q;;;;3*+2/p-6
InChIKeyOZUCUHZMFOOWOW-UHFFFAOYSA-H
MW751.16 g/mol
LogP0.86
Rot. Bonds2

About tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate)

tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate) (PubChem CID 69050117) has the molecular formula C32H20Cu3N2O8 and a molecular weight of 751.16 g/mol. Its IUPAC name is tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate).

Molecular Properties

Compound Nametricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate)
PubChem CID69050117
Molecular FormulaC32H20Cu3N2O8
Molecular Weight751.16 g/mol
Exact Mass748.91
IUPAC Nametricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate)
SMILESO=C([O-])c1ccccc1[O-].O=C([O-])c1ccccc1[O-].[Cu+2].[Cu+2].[Cu+2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/2C9H7NO.2C7H6O3.3Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*8-6-4-2-1-3-5(6)7(9)10;;;/h2*1-6,11H;2*1-4,8H,(H,9,10);;;/q;;;;3*+2/p-6
InChIKeyOZUCUHZMFOOWOW-UHFFFAOYSA-H
XLogP0.86
TPSA198.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500751.16
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

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CID 170843806
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CID 170905215
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Frequently Asked Questions

What is the IUPAC name of tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate)?
The IUPAC name of tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate) (CID 69050117) is tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate).
What is the SMILES notation for tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate)?
The canonical SMILES for tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate) is O=C([O-])c1ccccc1[O-].O=C([O-])c1ccccc1[O-].[Cu+2].[Cu+2].[Cu+2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.
What is the InChIKey of tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate)?
The InChIKey is OZUCUHZMFOOWOW-UHFFFAOYSA-H. The full InChI is InChI=1S/2C9H7NO.2C7H6O3.3Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*8-6-4-2-1-3-5(6)7(9)10;;;/h2*1-6,11H;2*1-4,8H,(H,9,10);;;/q;;;;3*+2/p-6.
What are the key properties of tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate)?
tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate) has a molecular weight of 751.16 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate) is sourced from PubChem (CID 69050117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).