2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;tris(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);bis(1-methyl-2-phenylbenzimidazole)

C180H131Ir5N15O3S2-10 — CID 157415865

About 2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;tris(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);bis(1-methyl-2-phenylbenzimidazole)

2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;tris(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);bis(1-methyl-2-phenylbenzimidazole) (PubChem CID 157415865) has the molecular formula C180H131Ir5N15O3S2-10 and a molecular weight of 3577.35 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;tris(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);bis(1-methyl-2-phenylbenzimidazole).

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;tris(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);bis(1-methyl-2-phenylbenzimidazole)
• PubChem CID: 157415865
• Molecular Formula: C180H131Ir5N15O3S2-10
• Molecular Weight: 3577.35 g/mol
• Exact Mass: 3578.82
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;tris(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);bis(1-methyl-2-phenylbenzimidazole)
• SMILES: Cc1cccc(C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.Cc1cccc(C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.Cc1cccc(C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.Cc1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C.Cc1cnc(-c2[c-]ccc3c2sc2ccccc23)cc1C.Cn1c(-c2[c-]cccc2)nc2ccccc21.Cn1c(-c2[c-]cccc2)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1
• InChI: InChI=1S/3C21H17N2.C19H14NO.C19H14NS.2C17H10NO.C17H10NS.2C14H11N2.5Ir/c3*1-15-9-8-10-16(2)20(15)23-19-14-7-6-13-18(19)22-21(23)17-11-4-3-5-12-17;2*1-12-10-17(20-11-13(12)2)16-8-5-7-15-14-6-3-4-9-18(14)21-19(15)16;3*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;2*1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;;;;;/h3*3-11,13-14H,1-2H3;2*3-7,9-11H,1-2H3;3*1-7,9-11H;2*2-7,9-10H,1H3;;;;;/q10*-1
• InChIKey: ZKXCRHDPRGWRSL-UHFFFAOYSA-N
• XLogP: 45.81
• TPSA: 192.97 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3577.35
LogP ≤ 5	45.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;tris(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);bis(1-methyl-2-phenylbenzimidazole)?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;tris(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);bis(1-methyl-2-phenylbenzimidazole) (CID 157415865) is 2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;tris(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);bis(1-methyl-2-phenylbenzimidazole).

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;tris(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);bis(1-methyl-2-phenylbenzimidazole)?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;tris(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);bis(1-methyl-2-phenylbenzimidazole) is Cc1cccc(C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.Cc1cccc(C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.Cc1cccc(C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.Cc1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1C.Cc1cnc(-c2[c-]ccc3c2sc2ccccc23)cc1C.Cn1c(-c2[c-]cccc2)nc2ccccc21.Cn1c(-c2[c-]cccc2)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;tris(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);bis(1-methyl-2-phenylbenzimidazole)?

The InChIKey is ZKXCRHDPRGWRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H17N2.C19H14NO.C19H14NS.2C17H10NO.C17H10NS.2C14H11N2.5Ir/c3*1-15-9-8-10-16(2)20(15)23-19-14-7-6-13-18(19)22-21(23)17-11-4-3-5-12-17;2*1-12-10-17(20-11-13(12)2)16-8-5-7-15-14-6-3-4-9-18(14)21-19(15)16;3*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;2*1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;;;;;/h3*3-11,13-14H,1-2H3;2*3-7,9-11H,1-2H3;3*1-7,9-11H;2*2-7,9-10H,1H3;;;;;/q10*-1;;;;;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;tris(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);bis(1-methyl-2-phenylbenzimidazole)?

2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;tris(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);bis(1-methyl-2-phenylbenzimidazole) has a molecular weight of 3577.35 g/mol, XLogP of 45.81, 13 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;tris(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);bis(1-methyl-2-phenylbenzimidazole) is sourced from PubChem (CID 157415865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).