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

C185H128Ir5N18S5-10 — CID 157090974

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

bis(2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine);tris(2-(3H-dibenzothiophen-3-id-4-yl)pyridine);bis(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);tris(2-phenyl-1-pyridin-4-ylbenzimidazole) (PubChem CID 157090974) has the molecular formula C185H128Ir5N18S5-10 and a molecular weight of 3724.60 g/mol. Its IUPAC name is bis(2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine);tris(2-(3H-dibenzothiophen-3-id-4-yl)pyridine);bis(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);tris(2-phenyl-1-pyridin-4-ylbenzimidazole).

Molecular Properties

• Compound Name: bis(2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine);tris(2-(3H-dibenzothiophen-3-id-4-yl)pyridine);bis(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);tris(2-phenyl-1-pyridin-4-ylbenzimidazole)
• PubChem CID: 157090974
• Molecular Formula: C185H128Ir5N18S5-10
• Molecular Weight: 3724.60 g/mol
• Exact Mass: 3725.74
• IUPAC Name: bis(2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine);tris(2-(3H-dibenzothiophen-3-id-4-yl)pyridine);bis(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);tris(2-phenyl-1-pyridin-4-ylbenzimidazole)
• SMILES: Cc1cccc(C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.Cc1cccc(C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.Cc1cnc(-c2[c-]ccc3c2sc2ccccc23)cc1C.Cc1cnc(-c2[c-]ccc3c2sc2ccccc23)cc1C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccncc1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccncc1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccncc1
• InChI: InChI=1S/2C21H17N2.2C19H14NS.3C18H12N3.3C17H10NS.5Ir/c2*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*1-2-6-14(7-3-1)18-20-16-8-4-5-9-17(16)21(18)15-10-12-19-13-11-15;3*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;;;;;/h2*3-11,13-14H,1-2H3;2*3-7,9-11H,1-2H3;3*1-6,8-13H;3*1-7,9-11H;;;;;/q10*-1
• InChIKey: ILUGTZWIEDIJDJ-UHFFFAOYSA-N
• XLogP: 47.69
• TPSA: 192.22 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3724.60
LogP ≤ 5	47.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

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-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine);tris(2-(3H-dibenzothiophen-3-id-4-yl)pyridine);bis(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);tris(2-phenyl-1-pyridin-4-ylbenzimidazole)?

The IUPAC name of bis(2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine);tris(2-(3H-dibenzothiophen-3-id-4-yl)pyridine);bis(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);tris(2-phenyl-1-pyridin-4-ylbenzimidazole) (CID 157090974) is bis(2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine);tris(2-(3H-dibenzothiophen-3-id-4-yl)pyridine);bis(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);tris(2-phenyl-1-pyridin-4-ylbenzimidazole).

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

The canonical SMILES for bis(2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine);tris(2-(3H-dibenzothiophen-3-id-4-yl)pyridine);bis(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);tris(2-phenyl-1-pyridin-4-ylbenzimidazole) is Cc1cccc(C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.Cc1cccc(C)c1-n1c(-c2[c-]cccc2)nc2ccccc21.Cc1cnc(-c2[c-]ccc3c2sc2ccccc23)cc1C.Cc1cnc(-c2[c-]ccc3c2sc2ccccc23)cc1C.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccncc1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccncc1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccncc1.

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

The InChIKey is ILUGTZWIEDIJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H17N2.2C19H14NS.3C18H12N3.3C17H10NS.5Ir/c2*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*1-2-6-14(7-3-1)18-20-16-8-4-5-9-17(16)21(18)15-10-12-19-13-11-15;3*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;;;;;/h2*3-11,13-14H,1-2H3;2*3-7,9-11H,1-2H3;3*1-6,8-13H;3*1-7,9-11H;;;;;/q10*-1;;;;;.

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

bis(2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine);tris(2-(3H-dibenzothiophen-3-id-4-yl)pyridine);bis(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);tris(2-phenyl-1-pyridin-4-ylbenzimidazole) has a molecular weight of 3724.60 g/mol, XLogP of 47.69, 15 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(3H-dibenzothiophen-3-id-4-yl)-4,5-dimethylpyridine);tris(2-(3H-dibenzothiophen-3-id-4-yl)pyridine);bis(1-(2,6-dimethylphenyl)-2-phenylbenzimidazole);pentakis(iridium);tris(2-phenyl-1-pyridin-4-ylbenzimidazole) is sourced from PubChem (CID 157090974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).