iridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole

C24H17IrN4O- — CID 162475890

IUPACiridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole
SMILES[Ir].[c-]1ccccc1-c1ccccn1.c1ccc(-c2nnc(-c3ccccn3)o2)cc1
InChIInChI=1S/C13H9N3O.C11H8N.Ir/c1-2-6-10(7-3-1)12-15-16-13(17-12)11-8-4-5-9-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-9H;1-6,8-9H;/q;-1;
InChIKeyPTZAWKUHNKCYRT-UHFFFAOYSA-N
MW569.64 g/mol
LogP5.34
Rot. Bonds3

About iridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole

iridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 162475890) has the molecular formula C24H17IrN4O- and a molecular weight of 569.64 g/mol. Its IUPAC name is iridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID162475890
Molecular FormulaC24H17IrN4O-
Molecular Weight569.64 g/mol
Exact Mass570.10
IUPAC Nameiridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole
SMILES[Ir].[c-]1ccccc1-c1ccccn1.c1ccc(-c2nnc(-c3ccccn3)o2)cc1
InChIInChI=1S/C13H9N3O.C11H8N.Ir/c1-2-6-10(7-3-1)12-15-16-13(17-12)11-8-4-5-9-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-9H;1-6,8-9H;/q;-1;
InChIKeyPTZAWKUHNKCYRT-UHFFFAOYSA-N
XLogP5.34
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.64
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-4-[5-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]aniline;iridium;2-phenylpyridine
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Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of iridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole (CID 162475890) is iridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for iridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for iridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole is [Ir].[c-]1ccccc1-c1ccccn1.c1ccc(-c2nnc(-c3ccccn3)o2)cc1.
What is the InChIKey of iridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is PTZAWKUHNKCYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O.C11H8N.Ir/c1-2-6-10(7-3-1)12-15-16-13(17-12)11-8-4-5-9-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-9H;1-6,8-9H;/q;-1;.
What are the key properties of iridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole?
iridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 569.64 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 162475890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).