5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine)

C90H72Ir3N6-6 — CID 160589768

IUPAC5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine)
SMILESCC(C)c1ccccc1-c1ccc(-c2[c-]cccc2)nc1.CCc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C20H18N.C19H16N.C18H14N.3C11H8N.3Ir/c1-15(2)18-10-6-7-11-19(18)17-12-13-20(21-14-17)16-8-4-3-5-9-16;1-2-15-8-6-7-11-18(15)17-12-13-19(20-14-17)16-9-4-3-5-10-16;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h3-8,10-15H,1-2H3;3-9,11-14H,2H2,1H3;2-8,10-13H,1H3;3*1-6,8-9H;;;/q6*-1;;;
InChIKeyGTOKNNMEDDFRMO-UHFFFAOYSA-N
MW1814.26 g/mol
LogP22.28
Rot. Bonds11

About 5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine)

5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine) (PubChem CID 160589768) has the molecular formula C90H72Ir3N6-6 and a molecular weight of 1814.26 g/mol. Its IUPAC name is 5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine).

Molecular Properties

Compound Name5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine)
PubChem CID160589768
Molecular FormulaC90H72Ir3N6-6
Molecular Weight1814.26 g/mol
Exact Mass1815.47
IUPAC Name5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine)
SMILESCC(C)c1ccccc1-c1ccc(-c2[c-]cccc2)nc1.CCc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C20H18N.C19H16N.C18H14N.3C11H8N.3Ir/c1-15(2)18-10-6-7-11-19(18)17-12-13-20(21-14-17)16-8-4-3-5-9-16;1-2-15-8-6-7-11-18(15)17-12-13-19(20-14-17)16-9-4-3-5-10-16;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h3-8,10-15H,1-2H3;3-9,11-14H,2H2,1H3;2-8,10-13H,1H3;3*1-6,8-9H;;;/q6*-1;;;
InChIKeyGTOKNNMEDDFRMO-UHFFFAOYSA-N
XLogP22.28
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001814.26
LogP ≤ 522.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 160687812
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5-(3-ethyl-4-fluorophenyl)-2-phenylpyridine;5-[4-fluoro-3-(2-methylpropyl)phenyl]-2-phenylpyridine;5-(4-fluoro-3-propan-2-ylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine)
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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine)?
The IUPAC name of 5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine) (CID 160589768) is 5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine).
What is the SMILES notation for 5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine)?
The canonical SMILES for 5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine) is CC(C)c1ccccc1-c1ccc(-c2[c-]cccc2)nc1.CCc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine)?
The InChIKey is GTOKNNMEDDFRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N.C19H16N.C18H14N.3C11H8N.3Ir/c1-15(2)18-10-6-7-11-19(18)17-12-13-20(21-14-17)16-8-4-3-5-9-16;1-2-15-8-6-7-11-18(15)17-12-13-19(20-14-17)16-9-4-3-5-10-16;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h3-8,10-15H,1-2H3;3-9,11-14H,2H2,1H3;2-8,10-13H,1H3;3*1-6,8-9H;;;/q6*-1;;;.
What are the key properties of 5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine)?
5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine) has a molecular weight of 1814.26 g/mol, XLogP of 22.28, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)-2-phenylpyridine;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-5-(2-propan-2-ylphenyl)pyridine;tris(2-phenylpyridine) is sourced from PubChem (CID 160589768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).