iridium(3+);tris(quinoline-2-carboxylate)

C30H18IrN3O6 — CID 161052613

IUPACiridium(3+);tris(quinoline-2-carboxylate)
SMILESO=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Ir+3]
InChIInChI=1S/3C10H7NO2.Ir/c3*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h3*1-6H,(H,12,13);/q;;;+3/p-3
InChIKeyUCIKXRDIHXGQOP-UHFFFAOYSA-K
MW708.71 g/mol
LogP1.79
Rot. Bonds3

About iridium(3+);tris(quinoline-2-carboxylate)

iridium(3+);tris(quinoline-2-carboxylate) (PubChem CID 161052613) has the molecular formula C30H18IrN3O6 and a molecular weight of 708.71 g/mol. Its IUPAC name is iridium(3+);tris(quinoline-2-carboxylate).

Molecular Properties

Compound Nameiridium(3+);tris(quinoline-2-carboxylate)
PubChem CID161052613
Molecular FormulaC30H18IrN3O6
Molecular Weight708.71 g/mol
Exact Mass709.08
IUPAC Nameiridium(3+);tris(quinoline-2-carboxylate)
SMILESO=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Ir+3]
InChIInChI=1S/3C10H7NO2.Ir/c3*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h3*1-6H,(H,12,13);/q;;;+3/p-3
InChIKeyUCIKXRDIHXGQOP-UHFFFAOYSA-K
XLogP1.79
TPSA159.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500708.71
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

copper(1+);quinoline-2-carboxylate
CID 159046158
tris(quinoline-2-carboxylate);ruthenium(3+)
CID 15777317
chromium(3+);tris(quinoline-2-carboxylate)
CID 86616048
tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate)
CID 70528464
manganese;bis(quinoline-2-carboxylic acid);benzoate
CID 139073952
europium;quinoline-2-carboxylic acid
CID 87730482
copper;quinoline-2-carboxylic acid
CID 68537473
2-amino-1-quinolin-2-ylethanone
CID 23532024
(2-phenylphenoxy)aluminum(2+);bis(quinoline-2-carboxylate)
CID 161019161
quinoline-2-carboxamide;hydrobromide
CID 141009871
potassium;hydride;quinoline-2-carboxylic acid
CID 174828478
1,6-naphthyridine-2-carboxylate
CID 6930972

Frequently Asked Questions

What is the IUPAC name of iridium(3+);tris(quinoline-2-carboxylate)?
The IUPAC name of iridium(3+);tris(quinoline-2-carboxylate) (CID 161052613) is iridium(3+);tris(quinoline-2-carboxylate).
What is the SMILES notation for iridium(3+);tris(quinoline-2-carboxylate)?
The canonical SMILES for iridium(3+);tris(quinoline-2-carboxylate) is O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Ir+3].
What is the InChIKey of iridium(3+);tris(quinoline-2-carboxylate)?
The InChIKey is UCIKXRDIHXGQOP-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H7NO2.Ir/c3*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h3*1-6H,(H,12,13);/q;;;+3/p-3.
What are the key properties of iridium(3+);tris(quinoline-2-carboxylate)?
iridium(3+);tris(quinoline-2-carboxylate) has a molecular weight of 708.71 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);tris(quinoline-2-carboxylate) is sourced from PubChem (CID 161052613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).