4-(4-ethylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine);4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine

C96H84Ir3N6-6 — CID 157152224

IUPAC4-(4-ethylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine);4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine
SMILESCC(C)Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.CC(C)c1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.CCc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir]
InChIInChI=1S/C21H20N.C20H18N.C19H16N.3C12H10N.3Ir/c1-16(2)14-17-8-10-18(11-9-17)20-12-13-22-21(15-20)19-6-4-3-5-7-19;1-15(2)16-8-10-17(11-9-16)19-12-13-21-20(14-19)18-6-4-3-5-7-18;1-2-15-8-10-16(11-9-15)18-12-13-20-19(14-18)17-6-4-3-5-7-17;3*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h3-6,8-13,15-16H,14H2,1-2H3;3-6,8-15H,1-2H3;3-6,8-14H,2H2,1H3;3*2-5,7-9H,1H3;;;/q6*-1;;;
InChIKeyMLMYGUMQXHIRAZ-UHFFFAOYSA-N
MW1898.42 g/mol
LogP24.10
Rot. Bonds13

About 4-(4-ethylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine);4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine

4-(4-ethylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine);4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine (PubChem CID 157152224) has the molecular formula C96H84Ir3N6-6 and a molecular weight of 1898.42 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine);4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine.

Molecular Properties

Compound Name4-(4-ethylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine);4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine
PubChem CID157152224
Molecular FormulaC96H84Ir3N6-6
Molecular Weight1898.42 g/mol
Exact Mass1899.57
IUPAC Name4-(4-ethylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine);4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine
SMILESCC(C)Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.CC(C)c1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.CCc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir]
InChIInChI=1S/C21H20N.C20H18N.C19H16N.3C12H10N.3Ir/c1-16(2)14-17-8-10-18(11-9-17)20-12-13-22-21(15-20)19-6-4-3-5-7-19;1-15(2)16-8-10-17(11-9-16)19-12-13-21-20(14-19)18-6-4-3-5-7-18;1-2-15-8-10-16(11-9-15)18-12-13-20-19(14-18)17-6-4-3-5-7-17;3*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h3-6,8-13,15-16H,14H2,1-2H3;3-6,8-15H,1-2H3;3-6,8-14H,2H2,1H3;3*2-5,7-9H,1H3;;;/q6*-1;;;
InChIKeyMLMYGUMQXHIRAZ-UHFFFAOYSA-N
XLogP24.10
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001898.42
LogP ≤ 524.10
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine);4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine?
The IUPAC name of 4-(4-ethylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine);4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine (CID 157152224) is 4-(4-ethylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine);4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine.
What is the SMILES notation for 4-(4-ethylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine);4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine?
The canonical SMILES for 4-(4-ethylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine);4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine is CC(C)Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.CC(C)c1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.CCc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].
What is the InChIKey of 4-(4-ethylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine);4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine?
The InChIKey is MLMYGUMQXHIRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N.C20H18N.C19H16N.3C12H10N.3Ir/c1-16(2)14-17-8-10-18(11-9-17)20-12-13-22-21(15-20)19-6-4-3-5-7-19;1-15(2)16-8-10-17(11-9-16)19-12-13-21-20(14-19)18-6-4-3-5-7-18;1-2-15-8-10-16(11-9-15)18-12-13-20-19(14-18)17-6-4-3-5-7-17;3*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h3-6,8-13,15-16H,14H2,1-2H3;3-6,8-15H,1-2H3;3-6,8-14H,2H2,1H3;3*2-5,7-9H,1H3;;;/q6*-1;;;.
What are the key properties of 4-(4-ethylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine);4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine?
4-(4-ethylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine);4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine has a molecular weight of 1898.42 g/mol, XLogP of 24.10, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-2-phenylpyridine;tris(iridium);tris(5-methyl-2-phenylpyridine);4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine is sourced from PubChem (CID 157152224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).