tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride

C44H28Cl2F8Ir2N4-2 — CID 170996857

IUPACtetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride
SMILESFc1ccc(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)c(F)c1.[Cl-].[Cl-].[Ir].[Ir]
InChIInChI=1S/4C11H7F2N.2ClH.2Ir/c4*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;/h4*1-7H;2*1H;;/p-2
InChIKeyPAUWUOIHJJLNCO-UHFFFAOYSA-L
MW1220.06 g/mol
LogP6.11
Rot. Bonds4

About tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride

tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride (PubChem CID 170996857) has the molecular formula C44H28Cl2F8Ir2N4-2 and a molecular weight of 1220.06 g/mol. Its IUPAC name is tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride.

Molecular Properties

Compound Nametetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride
PubChem CID170996857
Molecular FormulaC44H28Cl2F8Ir2N4-2
Molecular Weight1220.06 g/mol
Exact Mass1220.08
IUPAC Nametetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride
SMILESFc1ccc(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)c(F)c1.[Cl-].[Cl-].[Ir].[Ir]
InChIInChI=1S/4C11H7F2N.2ClH.2Ir/c4*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;/h4*1-7H;2*1H;;/p-2
InChIKeyPAUWUOIHJJLNCO-UHFFFAOYSA-L
XLogP6.11
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001220.06
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride?
The IUPAC name of tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride (CID 170996857) is tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride.
What is the SMILES notation for tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride?
The canonical SMILES for tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride is Fc1ccc(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)c(F)c1.[Cl-].[Cl-].[Ir].[Ir].
What is the InChIKey of tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride?
The InChIKey is PAUWUOIHJJLNCO-UHFFFAOYSA-L. The full InChI is InChI=1S/4C11H7F2N.2ClH.2Ir/c4*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;/h4*1-7H;2*1H;;/p-2.
What are the key properties of tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride?
tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride has a molecular weight of 1220.06 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride is sourced from PubChem (CID 170996857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).