iridium;phenanthridine-6-carboxylic acid;2-phenylpyridine

C25H17IrN2O2- — CID 59015418

IUPACiridium;phenanthridine-6-carboxylic acid;2-phenylpyridine
SMILESO=C(O)c1nc2ccccc2c2ccccc12.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C14H9NO2.C11H8N.Ir/c16-14(17)13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-8H,(H,16,17);1-6,8-9H;/q;-1;
InChIKeyWAQAXQKYAPVKTD-UHFFFAOYSA-N
MW569.64 g/mol
LogP5.63
Rot. Bonds2

About iridium;phenanthridine-6-carboxylic acid;2-phenylpyridine

iridium;phenanthridine-6-carboxylic acid;2-phenylpyridine (PubChem CID 59015418) has the molecular formula C25H17IrN2O2- and a molecular weight of 569.64 g/mol. Its IUPAC name is iridium;phenanthridine-6-carboxylic acid;2-phenylpyridine.

Molecular Properties

Compound Nameiridium;phenanthridine-6-carboxylic acid;2-phenylpyridine
PubChem CID59015418
Molecular FormulaC25H17IrN2O2-
Molecular Weight569.64 g/mol
Exact Mass570.09
IUPAC Nameiridium;phenanthridine-6-carboxylic acid;2-phenylpyridine
SMILESO=C(O)c1nc2ccccc2c2ccccc12.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C14H9NO2.C11H8N.Ir/c16-14(17)13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-8H,(H,16,17);1-6,8-9H;/q;-1;
InChIKeyWAQAXQKYAPVKTD-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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 26587
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
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CID 11211919
5-Phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25253303
5-(2-Methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57394444
6-[(2-Phenyl-6-vinylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151150
3-Isoquinolinecarboxylic acid hydrate
CID 2736704
2-[4-(2-Fluoro-3-pyridinyl)phenyl]-3-methylquinoline-4-carboxylic acid
CID 145967609
2-[4-(2-Methyl-3-pyridinyl)phenyl]quinoline-4-carboxylic acid
CID 145968108
2-[4-(4-Methyl-3-pyridinyl)phenyl]quinoline-4-carboxylic acid
CID 145969747
2-(4-Pyridin-3-ylphenyl)quinoline-4-carboxylic acid
CID 145969925
2-Cyclopentyl-4-quinolin-4-ylbenzoic acid
CID 164612222

Frequently Asked Questions

What is the IUPAC name of iridium;phenanthridine-6-carboxylic acid;2-phenylpyridine?
The IUPAC name of iridium;phenanthridine-6-carboxylic acid;2-phenylpyridine (CID 59015418) is iridium;phenanthridine-6-carboxylic acid;2-phenylpyridine.
What is the SMILES notation for iridium;phenanthridine-6-carboxylic acid;2-phenylpyridine?
The canonical SMILES for iridium;phenanthridine-6-carboxylic acid;2-phenylpyridine is O=C(O)c1nc2ccccc2c2ccccc12.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;phenanthridine-6-carboxylic acid;2-phenylpyridine?
The InChIKey is WAQAXQKYAPVKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2.C11H8N.Ir/c16-14(17)13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-8H,(H,16,17);1-6,8-9H;/q;-1;.
What are the key properties of iridium;phenanthridine-6-carboxylic acid;2-phenylpyridine?
iridium;phenanthridine-6-carboxylic acid;2-phenylpyridine 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;phenanthridine-6-carboxylic acid;2-phenylpyridine is sourced from PubChem (CID 59015418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).