copper;zinc;bis(2-carboxy-6-phenylphenolate);dioxido(dioxo)chromium

C26H18CrCuO10Zn — CID 157248651

IUPACcopper;zinc;bis(2-carboxy-6-phenylphenolate);dioxido(dioxo)chromium
SMILESO=C(O)c1cccc(-c2ccccc2)c1[O-].O=C(O)c1cccc(-c2ccccc2)c1[O-].O=[Cr](=O)([O-])[O-].[Cu+2].[Zn+2]
InChIInChI=1S/2C13H10O3.Cr.Cu.4O.Zn/c2*14-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(15)16;;;;;;;/h2*1-8,14H,(H,15,16);;;;;;;/q;;;+2;;;2*-1;+2/p-2
InChIKeyMTHPZRZQMYOHCV-UHFFFAOYSA-L
MW671.35 g/mol
LogP1.63
Rot. Bonds4

About copper;zinc;bis(2-carboxy-6-phenylphenolate);dioxido(dioxo)chromium

copper;zinc;bis(2-carboxy-6-phenylphenolate);dioxido(dioxo)chromium (PubChem CID 157248651) has the molecular formula C26H18CrCuO10Zn and a molecular weight of 671.35 g/mol. Its IUPAC name is copper;zinc;bis(2-carboxy-6-phenylphenolate);dioxido(dioxo)chromium.

Molecular Properties

Compound Namecopper;zinc;bis(2-carboxy-6-phenylphenolate);dioxido(dioxo)chromium
PubChem CID157248651
Molecular FormulaC26H18CrCuO10Zn
Molecular Weight671.35 g/mol
Exact Mass668.89
IUPAC Namecopper;zinc;bis(2-carboxy-6-phenylphenolate);dioxido(dioxo)chromium
SMILESO=C(O)c1cccc(-c2ccccc2)c1[O-].O=C(O)c1cccc(-c2ccccc2)c1[O-].O=[Cr](=O)([O-])[O-].[Cu+2].[Zn+2]
InChIInChI=1S/2C13H10O3.Cr.Cu.4O.Zn/c2*14-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(15)16;;;;;;;/h2*1-8,14H,(H,15,16);;;;;;;/q;;;+2;;;2*-1;+2/p-2
InChIKeyMTHPZRZQMYOHCV-UHFFFAOYSA-L
XLogP1.63
TPSA200.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500671.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-2-sulfanylcarbonylbenzoic acid
CID 88677221
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
acetylene;2-phenylbenzoic acid
CID 67726329
3-phenylphthalic acid;dihydrobromide
CID 67683459
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
2-hydroxy-3-(2-phenylphenyl)benzoic acid
CID 67822406
zinc;2,6-diphenylphenolate;ethane
CID 160596418
4-(4-carboxybenzoyl)benzoic acid;3-phenylphthalic acid
CID 175394432
3-amino-2-(2-phenylbenzoyl)benzoic acid
CID 70111879
2-benzoyl-6-phenylbenzoic acid
CID 174388121
copper bis(2-carboxyphenolate)
CID 54683201
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458

Frequently Asked Questions

What is the IUPAC name of copper;zinc;bis(2-carboxy-6-phenylphenolate);dioxido(dioxo)chromium?
The IUPAC name of copper;zinc;bis(2-carboxy-6-phenylphenolate);dioxido(dioxo)chromium (CID 157248651) is copper;zinc;bis(2-carboxy-6-phenylphenolate);dioxido(dioxo)chromium.
What is the SMILES notation for copper;zinc;bis(2-carboxy-6-phenylphenolate);dioxido(dioxo)chromium?
The canonical SMILES for copper;zinc;bis(2-carboxy-6-phenylphenolate);dioxido(dioxo)chromium is O=C(O)c1cccc(-c2ccccc2)c1[O-].O=C(O)c1cccc(-c2ccccc2)c1[O-].O=[Cr](=O)([O-])[O-].[Cu+2].[Zn+2].
What is the InChIKey of copper;zinc;bis(2-carboxy-6-phenylphenolate);dioxido(dioxo)chromium?
The InChIKey is MTHPZRZQMYOHCV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H10O3.Cr.Cu.4O.Zn/c2*14-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(15)16;;;;;;;/h2*1-8,14H,(H,15,16);;;;;;;/q;;;+2;;;2*-1;+2/p-2.
What are the key properties of copper;zinc;bis(2-carboxy-6-phenylphenolate);dioxido(dioxo)chromium?
copper;zinc;bis(2-carboxy-6-phenylphenolate);dioxido(dioxo)chromium has a molecular weight of 671.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;zinc;bis(2-carboxy-6-phenylphenolate);dioxido(dioxo)chromium is sourced from PubChem (CID 157248651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).