dichloroiridium(1+);tetrakis(2-phenylpyridine)

C44H32Cl2IrN4-3 — CID 175874187

IUPACdichloroiridium(1+);tetrakis(2-phenylpyridine)
SMILESCl[Ir+]Cl.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/4C11H8N.2ClH.Ir/c4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h4*1-6,8-9H;2*1H;/q4*-1;;;+3/p-2
InChIKeyWMJLVEZJPWLEHN-UHFFFAOYSA-L
MW879.89 g/mol
LogP11.57
Rot. Bonds4

About dichloroiridium(1+);tetrakis(2-phenylpyridine)

dichloroiridium(1+);tetrakis(2-phenylpyridine) (PubChem CID 175874187) has the molecular formula C44H32Cl2IrN4-3 and a molecular weight of 879.89 g/mol. Its IUPAC name is dichloroiridium(1+);tetrakis(2-phenylpyridine).

Molecular Properties

Compound Namedichloroiridium(1+);tetrakis(2-phenylpyridine)
PubChem CID175874187
Molecular FormulaC44H32Cl2IrN4-3
Molecular Weight879.89 g/mol
Exact Mass879.16
IUPAC Namedichloroiridium(1+);tetrakis(2-phenylpyridine)
SMILESCl[Ir+]Cl.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/4C11H8N.2ClH.Ir/c4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h4*1-6,8-9H;2*1H;/q4*-1;;;+3/p-2
InChIKeyWMJLVEZJPWLEHN-UHFFFAOYSA-L
XLogP11.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.89
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

bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
chlorozinc(1+);2-phenylpyridine
CID 59773311
iridium;tris(2-phenylpyridine)
CID 23386734
chloroplatinum(1+);2-phenylpyridine;2-phenylpyridine
CID 54698144
2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
CID 10963599
formic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163235
3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine
CID 23526288
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
chlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate
CID 50901693
iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
CID 168726074
bromonickel;2-phenyl-6-pyridin-2-ylpyridine
CID 153499013
iridium;2-phenylpyridine;pyridine-2-carboxylic acid
CID 23568206

Frequently Asked Questions

What is the IUPAC name of dichloroiridium(1+);tetrakis(2-phenylpyridine)?
The IUPAC name of dichloroiridium(1+);tetrakis(2-phenylpyridine) (CID 175874187) is dichloroiridium(1+);tetrakis(2-phenylpyridine).
What is the SMILES notation for dichloroiridium(1+);tetrakis(2-phenylpyridine)?
The canonical SMILES for dichloroiridium(1+);tetrakis(2-phenylpyridine) is Cl[Ir+]Cl.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of dichloroiridium(1+);tetrakis(2-phenylpyridine)?
The InChIKey is WMJLVEZJPWLEHN-UHFFFAOYSA-L. The full InChI is InChI=1S/4C11H8N.2ClH.Ir/c4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h4*1-6,8-9H;2*1H;/q4*-1;;;+3/p-2.
What are the key properties of dichloroiridium(1+);tetrakis(2-phenylpyridine)?
dichloroiridium(1+);tetrakis(2-phenylpyridine) has a molecular weight of 879.89 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 dichloroiridium(1+);tetrakis(2-phenylpyridine) is sourced from PubChem (CID 175874187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).