tris(quinolin-8-olate);zirconium-89(3+)

C27H18N3O3Zr — CID 155884448

IUPACtris(quinolin-8-olate);zirconium-89(3+)
SMILES[89Zr+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/3C9H7NO.Zr/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3/i;;;1-2
InChIKeyMVWRMQXAOOBISF-BITMAZLMSA-K
MW521.37 g/mol
LogP3.92
Rot. Bonds

About tris(quinolin-8-olate);zirconium-89(3+)

tris(quinolin-8-olate);zirconium-89(3+) (PubChem CID 155884448) has the molecular formula C27H18N3O3Zr and a molecular weight of 521.37 g/mol. Its IUPAC name is tris(quinolin-8-olate);zirconium-89(3+).

Molecular Properties

Compound Nametris(quinolin-8-olate);zirconium-89(3+)
PubChem CID155884448
Molecular FormulaC27H18N3O3Zr
Molecular Weight521.37 g/mol
Exact Mass521.04
IUPAC Nametris(quinolin-8-olate);zirconium-89(3+)
SMILES[89Zr+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/3C9H7NO.Zr/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3/i;;;1-2
InChIKeyMVWRMQXAOOBISF-BITMAZLMSA-K
XLogP3.92
TPSA107.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

zinc bis(quinolin-8-olate)
CID 162394451
palladium(2+);bis(quinolin-8-olate)
CID 15139981
iron(2+);bis(quinolin-8-olate)
CID 14497034
tetrapotassium;bis(quinolin-8-olate);sulfate
CID 170905215
dicalcium;chloroform;tetrakis(erbium(3+));hexadecakis(quinolin-8-olate)
CID 139170865
magnesium;chloroform;bis(dysprosium(3+));octakis(quinolin-8-olate)
CID 139170863
potassium;quinolin-8-olate;sulfuric acid
CID 170843806
hafnium(4+);tetrakis(quinolin-8-olate);toluene
CID 139077805
benzo[h]quinolin-10-olate
CID 101433150
aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate)
CID 69091139
tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate)
CID 69050117
CID 174914731
CID 174914731

Frequently Asked Questions

What is the IUPAC name of tris(quinolin-8-olate);zirconium-89(3+)?
The IUPAC name of tris(quinolin-8-olate);zirconium-89(3+) (CID 155884448) is tris(quinolin-8-olate);zirconium-89(3+).
What is the SMILES notation for tris(quinolin-8-olate);zirconium-89(3+)?
The canonical SMILES for tris(quinolin-8-olate);zirconium-89(3+) is [89Zr+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.
What is the InChIKey of tris(quinolin-8-olate);zirconium-89(3+)?
The InChIKey is MVWRMQXAOOBISF-BITMAZLMSA-K. The full InChI is InChI=1S/3C9H7NO.Zr/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3/i;;;1-2.
What are the key properties of tris(quinolin-8-olate);zirconium-89(3+)?
tris(quinolin-8-olate);zirconium-89(3+) has a molecular weight of 521.37 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(quinolin-8-olate);zirconium-89(3+) is sourced from PubChem (CID 155884448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).