tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine

C165H130Ir4N8O4-8 — CID 163930237

About tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine

tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine (PubChem CID 163930237) has the molecular formula C165H130Ir4N8O4-8 and a molecular weight of 3057.77 g/mol. Its IUPAC name is tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine.

Molecular Properties

• Compound Name: tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
• PubChem CID: 163930237
• Molecular Formula: C165H130Ir4N8O4-8
• Molecular Weight: 3057.77 g/mol
• Exact Mass: 3058.88
• IUPAC Name: tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
• SMILES: CC(c1ccc(-c2ccccc2)cc1)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.Cc1c[c-]c(-c2cc(CC(C)C)c(C)cn2)cc1.Cc1c[c-]c(-c2ccc(C)cn2)cc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1
• InChI: InChI=1S/C31H22NO.3C25H18NO.C17H12N.C17H20N.C13H12N.C12H10N.4Ir/c1-21(22-14-16-24(17-15-22)23-8-3-2-4-9-23)25-18-19-32-29(20-25)28-12-7-11-27-26-10-5-6-13-30(26)33-31(27)28;3*1-17(18-8-3-2-4-9-18)19-14-15-26-23(16-19)22-12-7-11-21-20-10-5-6-13-24(20)27-25(21)22;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-12(2)9-16-10-17(18-11-14(16)4)15-7-5-13(3)6-8-15;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h2-11,13-21H,1H3;3*2-11,13-17H,1H3;1-9,11-13H;5-7,10-12H,9H2,1-4H3;3-6,8-9H,1-2H3;2-5,7-9H,1H3;;;;/q8*-1
• InChIKey: HZXKOJYUSKGRLZ-UHFFFAOYSA-N
• XLogP: 42.66
• TPSA: 155.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3057.77
LogP ≤ 5	42.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine?

The IUPAC name of tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine (CID 163930237) is tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine.

What is the SMILES notation for tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine?

The canonical SMILES for tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine is CC(c1ccc(-c2ccccc2)cc1)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(c1ccccc1)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.Cc1c[c-]c(-c2cc(CC(C)C)c(C)cn2)cc1.Cc1c[c-]c(-c2ccc(C)cn2)cc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.

What is the InChIKey of tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine?

The InChIKey is HZXKOJYUSKGRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22NO.3C25H18NO.C17H12N.C17H20N.C13H12N.C12H10N.4Ir/c1-21(22-14-16-24(17-15-22)23-8-3-2-4-9-23)25-18-19-32-29(20-25)28-12-7-11-27-26-10-5-6-13-30(26)33-31(27)28;3*1-17(18-8-3-2-4-9-18)19-14-15-26-23(16-19)22-12-7-11-21-20-10-5-6-13-24(20)27-25(21)22;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-12(2)9-16-10-17(18-11-14(16)4)15-7-5-13(3)6-8-15;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h2-11,13-21H,1H3;3*2-11,13-17H,1H3;1-9,11-13H;5-7,10-12H,9H2,1-4H3;3-6,8-9H,1-2H3;2-5,7-9H,1H3;;;;/q8*-1;;;;.

What are the key properties of tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine?

tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine has a molecular weight of 3057.77 g/mol, XLogP of 42.66, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine);2-(3H-dibenzofuran-3-id-4-yl)-4-[1-(4-phenylphenyl)ethyl]pyridine;tetrakis(iridium);5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)pyridine;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 163930237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).