bis(chloroiridium(2+));tetrakis(2-phenylpyridine)

C44H32Cl2Ir2N4 — CID 54724512

IUPACbis(chloroiridium(2+));tetrakis(2-phenylpyridine)
SMILESCl[Ir+2].Cl[Ir+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/4C11H8N.2ClH.2Ir/c4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4*1-6,8-9H;2*1H;;/q4*-1;;;2*+3/p-2
InChIKeyLCEYXICNCJSAHX-UHFFFAOYSA-L
MW1072.11 g/mol
LogP11.57
Rot. Bonds4

About bis(chloroiridium(2+));tetrakis(2-phenylpyridine)

bis(chloroiridium(2+));tetrakis(2-phenylpyridine) (PubChem CID 54724512) has the molecular formula C44H32Cl2Ir2N4 and a molecular weight of 1072.11 g/mol. Its IUPAC name is bis(chloroiridium(2+));tetrakis(2-phenylpyridine).

Molecular Properties

Compound Namebis(chloroiridium(2+));tetrakis(2-phenylpyridine)
PubChem CID54724512
Molecular FormulaC44H32Cl2Ir2N4
Molecular Weight1072.11 g/mol
Exact Mass1072.13
IUPAC Namebis(chloroiridium(2+));tetrakis(2-phenylpyridine)
SMILESCl[Ir+2].Cl[Ir+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/4C11H8N.2ClH.2Ir/c4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4*1-6,8-9H;2*1H;;/q4*-1;;;2*+3/p-2
InChIKeyLCEYXICNCJSAHX-UHFFFAOYSA-L
XLogP11.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001072.11
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 50901693
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CID 153499013
iridium;2-phenylpyridine;pyridine-2-carboxylic acid
CID 23568206

Frequently Asked Questions

What is the IUPAC name of bis(chloroiridium(2+));tetrakis(2-phenylpyridine)?
The IUPAC name of bis(chloroiridium(2+));tetrakis(2-phenylpyridine) (CID 54724512) is bis(chloroiridium(2+));tetrakis(2-phenylpyridine).
What is the SMILES notation for bis(chloroiridium(2+));tetrakis(2-phenylpyridine)?
The canonical SMILES for bis(chloroiridium(2+));tetrakis(2-phenylpyridine) is Cl[Ir+2].Cl[Ir+2].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of bis(chloroiridium(2+));tetrakis(2-phenylpyridine)?
The InChIKey is LCEYXICNCJSAHX-UHFFFAOYSA-L. The full InChI is InChI=1S/4C11H8N.2ClH.2Ir/c4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4*1-6,8-9H;2*1H;;/q4*-1;;;2*+3/p-2.
What are the key properties of bis(chloroiridium(2+));tetrakis(2-phenylpyridine)?
bis(chloroiridium(2+));tetrakis(2-phenylpyridine) has a molecular weight of 1072.11 g/mol, XLogP of 11.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chloroiridium(2+));tetrakis(2-phenylpyridine) is sourced from PubChem (CID 54724512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).