2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium)

C26H22F2Ir2N2-2 — CID 159280645

IUPAC2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium)
SMILESCC(C)c1ccnc(-c2[c-]cc(F)cc2)c1.Cc1ccnc(-c2[c-]cc(F)cc2)c1.[Ir].[Ir]
InChIInChI=1S/C14H13FN.C12H9FN.2Ir/c1-10(2)12-7-8-16-14(9-12)11-3-5-13(15)6-4-11;1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;;/h3,5-10H,1-2H3;2,4-8H,1H3;;/q2*-1;;
InChIKeyGYBOQSGTQXXZNU-UHFFFAOYSA-N
MW784.91 g/mol
LogP6.80
Rot. Bonds3

About 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium)

2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium) (PubChem CID 159280645) has the molecular formula C26H22F2Ir2N2-2 and a molecular weight of 784.91 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium).

Molecular Properties

Compound Name2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium)
PubChem CID159280645
Molecular FormulaC26H22F2Ir2N2-2
Molecular Weight784.91 g/mol
Exact Mass786.10
IUPAC Name2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium)
SMILESCC(C)c1ccnc(-c2[c-]cc(F)cc2)c1.Cc1ccnc(-c2[c-]cc(F)cc2)c1.[Ir].[Ir]
InChIInChI=1S/C14H13FN.C12H9FN.2Ir/c1-10(2)12-7-8-16-14(9-12)11-3-5-13(15)6-4-11;1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;;/h3,5-10H,1-2H3;2,4-8H,1H3;;/q2*-1;;
InChIKeyGYBOQSGTQXXZNU-UHFFFAOYSA-N
XLogP6.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.91
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;2-(4-fluorobenzene-6-id-1-yl)-4,5-bis(trideuteriomethyl)pyridine;iridium
CID 169301258
iridium;2-(9-methyl-10-propan-2-yl-3H-phenanthren-3-id-2-yl)-4-propan-2-ylpyridine;2-phenylpyridine
CID 164792210
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine);iridium(3+);hexafluorophosphate
CID 129316191
2-(4-fluorobenzene-6-id-1-yl)-5-(1-phenylethyl)pyridine;iridium;4-phenyl-2-phenylpyridine
CID 162707124
iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane
CID 162709150
2-(3-benzylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
CID 162710266
tetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine
CID 160585759
iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol
CID 168799288
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium
CID 169038963
2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;1-hydroxyethylideneoxidanium;iridium
CID 58986552
bis(2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine);iridium(3+);2-pyridin-2-ylpyridine;hexafluorophosphate
CID 163409812

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium)?
The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium) (CID 159280645) is 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium).
What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium)?
The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium) is CC(C)c1ccnc(-c2[c-]cc(F)cc2)c1.Cc1ccnc(-c2[c-]cc(F)cc2)c1.[Ir].[Ir].
What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium)?
The InChIKey is GYBOQSGTQXXZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN.C12H9FN.2Ir/c1-10(2)12-7-8-16-14(9-12)11-3-5-13(15)6-4-11;1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;;/h3,5-10H,1-2H3;2,4-8H,1H3;;/q2*-1;;.
What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium)?
2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium) has a molecular weight of 784.91 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium) is sourced from PubChem (CID 159280645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).