iridium;2-phenylquinoline;quinoline-2-carboxylic acid

C25H17IrN2O2- — CID 58958812

IUPACiridium;2-phenylquinoline;quinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2n1.[Ir].[c-]1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C15H10N.C10H7NO2.Ir/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h1-6,8-11H;1-6H,(H,12,13);/q-1;;
InChIKeyKWSFYOWWQYRDRZ-UHFFFAOYSA-N
MW569.64 g/mol
LogP5.63
Rot. Bonds2

About iridium;2-phenylquinoline;quinoline-2-carboxylic acid

iridium;2-phenylquinoline;quinoline-2-carboxylic acid (PubChem CID 58958812) has the molecular formula C25H17IrN2O2- and a molecular weight of 569.64 g/mol. Its IUPAC name is iridium;2-phenylquinoline;quinoline-2-carboxylic acid.

Molecular Properties

Compound Nameiridium;2-phenylquinoline;quinoline-2-carboxylic acid
PubChem CID58958812
Molecular FormulaC25H17IrN2O2-
Molecular Weight569.64 g/mol
Exact Mass570.09
IUPAC Nameiridium;2-phenylquinoline;quinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2n1.[Ir].[c-]1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C15H10N.C10H7NO2.Ir/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h1-6,8-11H;1-6H,(H,12,13);/q-1;;
InChIKeyKWSFYOWWQYRDRZ-UHFFFAOYSA-N
XLogP5.63
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.64
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Quinaldic Acid
CID 7124
1,10-phenanthroline-2,9-dicarboxylic Acid
CID 7567134
3,3'-(phenylmethylene)bis(1H-indole-2-carboxylic acid)
CID 2966039
4-((5-(3-(2-(6,7-difluoroquinolin-2-yl)vinyl)benzyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)methyl)benzoic acid
CID 45270885
11H-indolo[3,2-c]quinoline-6-carboxylic acid
CID 122181008
2-Hydroxy-1,2-di(quinolin-2-yl)ethanone
CID 235225
1-Phenylisoquinoline-3-carboxylic acid
CID 407896
9-Benzyl-1-ethylpyrido[3,4-b]indole-3-carboxylic acid
CID 67319649
8,8'-Dithiobis[2-quinolinecarboxylic acid]
CID 126599612
8-(3-Methylbut-2-enyl)quinoline-2-carboxylic acid
CID 46909978
8-(Naphthalen-1-Yl)quinoline-2-Carboxylic Acid
CID 44207265
8-Phenylquinoline-2,4-dicarboxylic acid
CID 11109123

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylquinoline;quinoline-2-carboxylic acid?
The IUPAC name of iridium;2-phenylquinoline;quinoline-2-carboxylic acid (CID 58958812) is iridium;2-phenylquinoline;quinoline-2-carboxylic acid.
What is the SMILES notation for iridium;2-phenylquinoline;quinoline-2-carboxylic acid?
The canonical SMILES for iridium;2-phenylquinoline;quinoline-2-carboxylic acid is O=C(O)c1ccc2ccccc2n1.[Ir].[c-]1ccccc1-c1ccc2ccccc2n1.
What is the InChIKey of iridium;2-phenylquinoline;quinoline-2-carboxylic acid?
The InChIKey is KWSFYOWWQYRDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N.C10H7NO2.Ir/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h1-6,8-11H;1-6H,(H,12,13);/q-1;;.
What are the key properties of iridium;2-phenylquinoline;quinoline-2-carboxylic acid?
iridium;2-phenylquinoline;quinoline-2-carboxylic acid has a molecular weight of 569.64 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylquinoline;quinoline-2-carboxylic acid is sourced from PubChem (CID 58958812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).