hexakis(propan-2-olate);bis(quinolin-8-olate);bis(zirconium(4+))

C36H54N2O8Zr2 — CID 139066842

IUPAChexakis(propan-2-olate);bis(quinolin-8-olate);bis(zirconium(4+))
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[Zr+4].[Zr+4]
InChIInChI=1S/2C9H7NO.6C3H7O.2Zr/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;6*1-3(2)4;;/h2*1-6,11H;6*3H,1-2H3;;/q;;6*-1;2*+4/p-2
InChIKeyNHLYZTGEKZTASM-UHFFFAOYSA-L
MW825.28 g/mol
LogP1.14
Rot. Bonds

About hexakis(propan-2-olate);bis(quinolin-8-olate);bis(zirconium(4+))

hexakis(propan-2-olate);bis(quinolin-8-olate);bis(zirconium(4+)) (PubChem CID 139066842) has the molecular formula C36H54N2O8Zr2 and a molecular weight of 825.28 g/mol. Its IUPAC name is hexakis(propan-2-olate);bis(quinolin-8-olate);bis(zirconium(4+)).

Molecular Properties

Compound Namehexakis(propan-2-olate);bis(quinolin-8-olate);bis(zirconium(4+))
PubChem CID139066842
Molecular FormulaC36H54N2O8Zr2
Molecular Weight825.28 g/mol
Exact Mass822.20
IUPAC Namehexakis(propan-2-olate);bis(quinolin-8-olate);bis(zirconium(4+))
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[Zr+4].[Zr+4]
InChIInChI=1S/2C9H7NO.6C3H7O.2Zr/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;6*1-3(2)4;;/h2*1-6,11H;6*3H,1-2H3;;/q;;6*-1;2*+4/p-2
InChIKeyNHLYZTGEKZTASM-UHFFFAOYSA-L
XLogP1.14
TPSA210.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500825.28
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Oxine-copper
CID 3032555
Hydroxyquinoline sulfate
CID 517000
Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Indium In-111 Oxyquinoline
CID 119117
Cunilate
CID 56840841
Tris(8-hydroxyquinolinato)gallium
CID 9806063
Indium oxine
CID 3034762
GNF-Pf-3485
CID 2904976
1-(3-Carbazol-9-yl-2-hydroxy-propyl)-8-hydroxy-quinolinium
CID 2904977
Bis(quinolin-8-olato-N1,O8)nickel
CID 84198
Gallium 8-hydroxyquinolinate
CID 16686135
Zinc oxyquinolate
CID 84127

Frequently Asked Questions

What is the IUPAC name of hexakis(propan-2-olate);bis(quinolin-8-olate);bis(zirconium(4+))?
The IUPAC name of hexakis(propan-2-olate);bis(quinolin-8-olate);bis(zirconium(4+)) (CID 139066842) is hexakis(propan-2-olate);bis(quinolin-8-olate);bis(zirconium(4+)).
What is the SMILES notation for hexakis(propan-2-olate);bis(quinolin-8-olate);bis(zirconium(4+))?
The canonical SMILES for hexakis(propan-2-olate);bis(quinolin-8-olate);bis(zirconium(4+)) is CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[Zr+4].[Zr+4].
What is the InChIKey of hexakis(propan-2-olate);bis(quinolin-8-olate);bis(zirconium(4+))?
The InChIKey is NHLYZTGEKZTASM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7NO.6C3H7O.2Zr/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;6*1-3(2)4;;/h2*1-6,11H;6*3H,1-2H3;;/q;;6*-1;2*+4/p-2.
What are the key properties of hexakis(propan-2-olate);bis(quinolin-8-olate);bis(zirconium(4+))?
hexakis(propan-2-olate);bis(quinolin-8-olate);bis(zirconium(4+)) has a molecular weight of 825.28 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(propan-2-olate);bis(quinolin-8-olate);bis(zirconium(4+)) is sourced from PubChem (CID 139066842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).