acetic acid;bis(iridium);bis(2-phenylpyridine)

C26H24Ir2N2O4-2 — CID 58163263

IUPACacetic acid;bis(iridium);bis(2-phenylpyridine)
SMILESCC(=O)O.CC(=O)O.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C11H8N.2C2H4O2.2Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-2(3)4;;/h2*1-6,8-9H;2*1H3,(H,3,4);;/q2*-1;;;;
InChIKeyLAPSNYSFTONHPD-UHFFFAOYSA-N
MW812.92 g/mol
LogP5.27
Rot. Bonds2

About acetic acid;bis(iridium);bis(2-phenylpyridine)

acetic acid;bis(iridium);bis(2-phenylpyridine) (PubChem CID 58163263) has the molecular formula C26H24Ir2N2O4-2 and a molecular weight of 812.92 g/mol. Its IUPAC name is acetic acid;bis(iridium);bis(2-phenylpyridine).

Molecular Properties

Compound Nameacetic acid;bis(iridium);bis(2-phenylpyridine)
PubChem CID58163263
Molecular FormulaC26H24Ir2N2O4-2
Molecular Weight812.92 g/mol
Exact Mass814.10
IUPAC Nameacetic acid;bis(iridium);bis(2-phenylpyridine)
SMILESCC(=O)O.CC(=O)O.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C11H8N.2C2H4O2.2Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-2(3)4;;/h2*1-6,8-9H;2*1H3,(H,3,4);;/q2*-1;;;;
InChIKeyLAPSNYSFTONHPD-UHFFFAOYSA-N
XLogP5.27
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.92
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

iridium;tris(2-phenylpyridine)
CID 23386734
iridium;2-phenylpyridine;pyridine-2-carboxylic acid
CID 23568206
(Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium
CID 58099744
formic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163235
iridium;(E)-4-methanidylpent-3-en-2-one;2-phenylpyridine
CID 59357334
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
chlorozinc(1+);2-phenylpyridine
CID 59773311
[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium;2-phenylpyridine
CID 58695341
dichloroiridium(1+);tetrakis(2-phenylpyridine)
CID 175874187
iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
CID 168726074
4-[6-[5-(4-carboxyphenyl)-2-pyridinyl]-3-pyridinyl]benzoic acid;iridium;2-phenylpyridine
CID 170523980
chloroplatinum(1+);2-phenylpyridine;2-phenylpyridine
CID 54698144

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(iridium);bis(2-phenylpyridine)?
The IUPAC name of acetic acid;bis(iridium);bis(2-phenylpyridine) (CID 58163263) is acetic acid;bis(iridium);bis(2-phenylpyridine).
What is the SMILES notation for acetic acid;bis(iridium);bis(2-phenylpyridine)?
The canonical SMILES for acetic acid;bis(iridium);bis(2-phenylpyridine) is CC(=O)O.CC(=O)O.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of acetic acid;bis(iridium);bis(2-phenylpyridine)?
The InChIKey is LAPSNYSFTONHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8N.2C2H4O2.2Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-2(3)4;;/h2*1-6,8-9H;2*1H3,(H,3,4);;/q2*-1;;;;.
What are the key properties of acetic acid;bis(iridium);bis(2-phenylpyridine)?
acetic acid;bis(iridium);bis(2-phenylpyridine) has a molecular weight of 812.92 g/mol, XLogP of 5.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(iridium);bis(2-phenylpyridine) is sourced from PubChem (CID 58163263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).