bis(iridium);phenol;bis(2-phenylpyridine)

C34H28Ir2N2O2-2 — CID 58163256

IUPACbis(iridium);phenol;bis(2-phenylpyridine)
SMILESOc1ccccc1.Oc1ccccc1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C11H8N.2C6H6O.2Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*7-6-4-2-1-3-5-6;;/h2*1-6,8-9H;2*1-5,7H;;/q2*-1;;;;
InChIKeyGPUXDJFQIRWDIE-UHFFFAOYSA-N
MW881.04 g/mol
LogP7.88
Rot. Bonds2

About bis(iridium);phenol;bis(2-phenylpyridine)

bis(iridium);phenol;bis(2-phenylpyridine) (PubChem CID 58163256) has the molecular formula C34H28Ir2N2O2-2 and a molecular weight of 881.04 g/mol. Its IUPAC name is bis(iridium);phenol;bis(2-phenylpyridine).

Molecular Properties

Compound Namebis(iridium);phenol;bis(2-phenylpyridine)
PubChem CID58163256
Molecular FormulaC34H28Ir2N2O2-2
Molecular Weight881.04 g/mol
Exact Mass882.14
IUPAC Namebis(iridium);phenol;bis(2-phenylpyridine)
SMILESOc1ccccc1.Oc1ccccc1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C11H8N.2C6H6O.2Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*7-6-4-2-1-3-5-6;;/h2*1-6,8-9H;2*1-5,7H;;/q2*-1;;;;
InChIKeyGPUXDJFQIRWDIE-UHFFFAOYSA-N
XLogP7.88
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.04
LogP ≤ 57.88
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

3-[6-(3-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 122179982
2-[6-(2-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091035
dizinc;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;dicyanate
CID 139041445
dicopper;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;diisocyanate
CID 139176794
Catechol, 2,2'-bpe
CID 139185657
4-(1-Pyridin-4-ylethylideneamino)phenol
CID 139194349
Bis{mu-2-[1-(2-Pyridylmethylimino)ethyl]phenolato}bis[azidocopper(II)]
CID 168309718
Bis{mu-2-[1-(pyridin-2-ylmethylimino)ethyl]phenolato}bis(azidozinc)
CID 168310113
Phenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 21024827
bis(3-[(Z)-6-(3-hydroxyphenyl)hex-3-en-1,5-diynyl]phenol);2-pyridin-2-ylpyridine;vanadium
CID 23529677
2-(Dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium
CID 23568224
2-Phenylphenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 57539638

Frequently Asked Questions

What is the IUPAC name of bis(iridium);phenol;bis(2-phenylpyridine)?
The IUPAC name of bis(iridium);phenol;bis(2-phenylpyridine) (CID 58163256) is bis(iridium);phenol;bis(2-phenylpyridine).
What is the SMILES notation for bis(iridium);phenol;bis(2-phenylpyridine)?
The canonical SMILES for bis(iridium);phenol;bis(2-phenylpyridine) is Oc1ccccc1.Oc1ccccc1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of bis(iridium);phenol;bis(2-phenylpyridine)?
The InChIKey is GPUXDJFQIRWDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8N.2C6H6O.2Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*7-6-4-2-1-3-5-6;;/h2*1-6,8-9H;2*1-5,7H;;/q2*-1;;;;.
What are the key properties of bis(iridium);phenol;bis(2-phenylpyridine)?
bis(iridium);phenol;bis(2-phenylpyridine) has a molecular weight of 881.04 g/mol, XLogP of 7.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iridium);phenol;bis(2-phenylpyridine) is sourced from PubChem (CID 58163256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).