4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)

C184H144Ir6N12O4-12 — CID 158436561

About 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)

4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine) (PubChem CID 158436561) has the molecular formula C184H144Ir6N12O4-12 and a molecular weight of 3740.56 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine).

Molecular Properties

• Compound Name: 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
• PubChem CID: 158436561
• Molecular Formula: C184H144Ir6N12O4-12
• Molecular Weight: 3740.56 g/mol
• Exact Mass: 3742.93
• IUPAC Name: 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
• SMILES: CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccc(-c2[c-]ccc3c2oc2c(CC(C)C)cccc23)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1cccc(-c2[c-]ccc3c2oc2ccccc23)n1.Cc1cccc(-c2[c-]ccc3c2oc2ccccc23)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2oc3ccccc3c2cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C22H20NO.C21H20N.2C18H12NO.C18H14N.C17H10NO.4C12H10N.2C11H8N.6Ir/c1-14(2)12-16-6-4-7-17-18-8-5-9-19(22(18)24-21(16)17)20-11-10-15(3)13-23-20;1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;2*1-12-6-4-10-16(19-12)15-9-5-8-14-13-7-2-3-11-17(13)20-18(14)15;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h4-8,10-11,13-14H,12H2,1-3H3;4-10,12-15H,1-3H3;2*2-8,10-11H,1H3;2-8,10-13H,1H3;1-7,9-11H;4*2-5,7-9H,1H3;2*1-6,8-9H;;;;;;/q12*-1
• InChIKey: XWZHRYXNZHXTJO-UHFFFAOYSA-N
• XLogP: 46.47
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3740.56
LogP ≤ 5	46.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)?

The IUPAC name of 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine) (CID 158436561) is 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine).

What is the SMILES notation for 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)?

The canonical SMILES for 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine) is CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccc(-c2[c-]ccc3c2oc2c(CC(C)C)cccc23)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1cccc(-c2[c-]ccc3c2oc2ccccc23)n1.Cc1cccc(-c2[c-]ccc3c2oc2ccccc23)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2oc3ccccc3c2cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)?

The InChIKey is XWZHRYXNZHXTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20NO.C21H20N.2C18H12NO.C18H14N.C17H10NO.4C12H10N.2C11H8N.6Ir/c1-14(2)12-16-6-4-7-17-18-8-5-9-19(22(18)24-21(16)17)20-11-10-15(3)13-23-20;1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;2*1-12-6-4-10-16(19-12)15-9-5-8-14-13-7-2-3-11-17(13)20-18(14)15;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h4-8,10-11,13-14H,12H2,1-3H3;4-10,12-15H,1-3H3;2*2-8,10-11H,1H3;2-8,10-13H,1H3;1-7,9-11H;4*2-5,7-9H,1H3;2*1-6,8-9H;;;;;;/q12*-1;;;;;;.

What are the key properties of 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)?

4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine) has a molecular weight of 3740.56 g/mol, XLogP of 46.47, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)-6-methylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;hexakis(iridium);5-methyl-2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine) is sourced from PubChem (CID 158436561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).