bis(iridium);tetrakis(4-pyridin-2-ylphenol)

C44H36Ir2N4O4 — CID 173084104

IUPACbis(iridium);tetrakis(4-pyridin-2-ylphenol)
SMILESOc1ccc(-c2ccccn2)cc1.Oc1ccc(-c2ccccn2)cc1.Oc1ccc(-c2ccccn2)cc1.Oc1ccc(-c2ccccn2)cc1.[Ir].[Ir]
InChIInChI=1S/4C11H9NO.2Ir/c4*13-10-6-4-9(5-7-10)11-3-1-2-8-12-11;;/h4*1-8,13H;;
InChIKeyLLJFJTCLSWESIL-UHFFFAOYSA-N
MW1069.23 g/mol
LogP9.81
Rot. Bonds4

About bis(iridium);tetrakis(4-pyridin-2-ylphenol)

bis(iridium);tetrakis(4-pyridin-2-ylphenol) (PubChem CID 173084104) has the molecular formula C44H36Ir2N4O4 and a molecular weight of 1069.23 g/mol. Its IUPAC name is bis(iridium);tetrakis(4-pyridin-2-ylphenol).

Molecular Properties

Compound Namebis(iridium);tetrakis(4-pyridin-2-ylphenol)
PubChem CID173084104
Molecular FormulaC44H36Ir2N4O4
Molecular Weight1069.23 g/mol
Exact Mass1070.20
IUPAC Namebis(iridium);tetrakis(4-pyridin-2-ylphenol)
SMILESOc1ccc(-c2ccccn2)cc1.Oc1ccc(-c2ccccn2)cc1.Oc1ccc(-c2ccccn2)cc1.Oc1ccc(-c2ccccn2)cc1.[Ir].[Ir]
InChIInChI=1S/4C11H9NO.2Ir/c4*13-10-6-4-9(5-7-10)11-3-1-2-8-12-11;;/h4*1-8,13H;;
InChIKeyLLJFJTCLSWESIL-UHFFFAOYSA-N
XLogP9.81
TPSA132.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.23
LogP ≤ 59.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[4-(4-hydroxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136661911
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol
CID 153103344
CID 88530161
CID 88530161
2-(4-methylphenyl)pyridine;silver
CID 121395993
hydrazine;2-phenylpyridine
CID 158673997
2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
2-pyridin-4-ylpyridine;dihydrochloride
CID 173206035
2-phenylpyridine;propan-2-one
CID 174845023
4-(3,5-dipyridin-2-ylphenyl)-2,6-bis(4-pyridin-2-ylphenyl)pyridine
CID 118582537
trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane
CID 157387060

Frequently Asked Questions

What is the IUPAC name of bis(iridium);tetrakis(4-pyridin-2-ylphenol)?
The IUPAC name of bis(iridium);tetrakis(4-pyridin-2-ylphenol) (CID 173084104) is bis(iridium);tetrakis(4-pyridin-2-ylphenol).
What is the SMILES notation for bis(iridium);tetrakis(4-pyridin-2-ylphenol)?
The canonical SMILES for bis(iridium);tetrakis(4-pyridin-2-ylphenol) is Oc1ccc(-c2ccccn2)cc1.Oc1ccc(-c2ccccn2)cc1.Oc1ccc(-c2ccccn2)cc1.Oc1ccc(-c2ccccn2)cc1.[Ir].[Ir].
What is the InChIKey of bis(iridium);tetrakis(4-pyridin-2-ylphenol)?
The InChIKey is LLJFJTCLSWESIL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H9NO.2Ir/c4*13-10-6-4-9(5-7-10)11-3-1-2-8-12-11;;/h4*1-8,13H;;.
What are the key properties of bis(iridium);tetrakis(4-pyridin-2-ylphenol)?
bis(iridium);tetrakis(4-pyridin-2-ylphenol) has a molecular weight of 1069.23 g/mol, XLogP of 9.81, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iridium);tetrakis(4-pyridin-2-ylphenol) is sourced from PubChem (CID 173084104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).