bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(5-methyl-2-phenylpyridine)

C150H110Ir5N10O4S-10 — CID 157277546

About bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(5-methyl-2-phenylpyridine)

bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(5-methyl-2-phenylpyridine) (PubChem CID 157277546) has the molecular formula C150H110Ir5N10O4S-10 and a molecular weight of 3109.75 g/mol. Its IUPAC name is bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(5-methyl-2-phenylpyridine).

Molecular Properties

• Compound Name: bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(5-methyl-2-phenylpyridine)
• PubChem CID: 157277546
• Molecular Formula: C150H110Ir5N10O4S-10
• Molecular Weight: 3109.75 g/mol
• Exact Mass: 3111.66
• IUPAC Name: bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(5-methyl-2-phenylpyridine)
• SMILES: Cc1ccc(-c2[c-]ccc3c2oc2c(C)cccc23)nc1.Cc1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1
• InChI: InChI=1S/C19H14NO.3C18H12NO.C17H10NS.5C12H10N.5Ir/c1-12-9-10-17(20-11-12)16-8-4-7-15-14-6-3-5-13(2)18(14)21-19(15)16;2*1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;5*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;/h3-7,9-11H,1-2H3;3*2-6,8-11H,1H3;1-7,9-11H;5*2-5,7-9H,1H3;;;;;/q10*-1
• InChIKey: HFXCJNWGKFMXAW-UHFFFAOYSA-N
• XLogP: 38.53
• TPSA: 181.46 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3109.75
LogP ≤ 5	38.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(5-methyl-2-phenylpyridine)?

The IUPAC name of bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(5-methyl-2-phenylpyridine) (CID 157277546) is bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(5-methyl-2-phenylpyridine).

What is the SMILES notation for bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(5-methyl-2-phenylpyridine)?

The canonical SMILES for bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(5-methyl-2-phenylpyridine) is Cc1ccc(-c2[c-]ccc3c2oc2c(C)cccc23)nc1.Cc1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.

What is the InChIKey of bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(5-methyl-2-phenylpyridine)?

The InChIKey is HFXCJNWGKFMXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14NO.3C18H12NO.C17H10NS.5C12H10N.5Ir/c1-12-9-10-17(20-11-12)16-8-4-7-15-14-6-3-5-13(2)18(14)21-19(15)16;2*1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;5*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;/h3-7,9-11H,1-2H3;3*2-6,8-11H,1H3;1-7,9-11H;5*2-5,7-9H,1H3;;;;;/q10*-1;;;;;.

What are the key properties of bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(5-methyl-2-phenylpyridine)?

bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(5-methyl-2-phenylpyridine) has a molecular weight of 3109.75 g/mol, XLogP of 38.53, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;pentakis(iridium);5-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(5-methyl-2-phenylpyridine) is sourced from PubChem (CID 157277546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).