2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylthiophen-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);iridium(3+);9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;tris(2-phenylpyridine);pyridine

C171H127Ir3N12OS-8 — CID 162274371

About 2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylthiophen-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);iridium(3+);9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;tris(2-phenylpyridine);pyridine

2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylthiophen-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);iridium(3+);9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;tris(2-phenylpyridine);pyridine (PubChem CID 162274371) has the molecular formula C171H127Ir3N12OS-8 and a molecular weight of 2974.70 g/mol. Its IUPAC name is 2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylthiophen-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);iridium(3+);9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;tris(2-phenylpyridine);pyridine.

Molecular Properties

• Compound Name: 2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylthiophen-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);iridium(3+);9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;tris(2-phenylpyridine);pyridine
• PubChem CID: 162274371
• Molecular Formula: C171H127Ir3N12OS-8
• Molecular Weight: 2974.70 g/mol
• Exact Mass: 2974.89
• IUPAC Name: 2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylthiophen-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);iridium(3+);9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;tris(2-phenylpyridine);pyridine
• SMILES: Cc1cccc(C)c1N1C=CN(c2[c-]cc(-c3oc(-c4cccc(-c5ccccc5-c5cc[c-]c(-c6ccccn6)c5)c4)c(C)c3C)cc2)[CH-]1.Cc1cccc(C)c1N1C=CN(c2[c-]cc(-c3sc(-c4cccc(-c5ccccc5-c5cc[c-]c(-c6ccccn6)c5)c4)c(C)c3C)cc2)[CH-]1.[Ir+3].[Ir].[Ir].[c-]1cccc(-c2cccc(-c3ccc4c(c3)c3c(-c5cc[c-]c(-c6ccccn6)c5)cccc3n4-c3ccccc3)c2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccncc1
• InChI: InChI=1S/C46H36N3O.C46H36N3S.C41H26N2.3C11H8N.C5H5N.3Ir/c2*1-31-12-9-13-32(2)44(31)49-27-26-48(30-49)40-23-21-35(22-24-40)45-33(3)34(4)46(50-45)39-17-11-15-37(29-39)42-19-6-5-18-41(42)36-14-10-16-38(28-36)43-20-7-8-25-47-43;1-3-12-29(13-4-1)30-14-9-15-31(26-30)32-23-24-39-37(28-32)41-36(20-11-22-40(41)43(39)35-18-5-2-6-19-35)33-16-10-17-34(27-33)38-21-7-8-25-42-38;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-4-6-5-3-1;;;/h2*5-15,17-23,25-30H,1-4H3;1-3,5-16,18-28H;3*1-6,8-9H;1-5H;;;/q2*-3;-2;3*-1;;;;+3
• InChIKey: OKEWDLZWEAGHGU-UHFFFAOYSA-N
• XLogP: 43.16
• TPSA: 121.26 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2974.70
LogP ≤ 5	43.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylthiophen-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);iridium(3+);9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;tris(2-phenylpyridine);pyridine?

The IUPAC name of 2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylthiophen-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);iridium(3+);9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;tris(2-phenylpyridine);pyridine (CID 162274371) is 2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylthiophen-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);iridium(3+);9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;tris(2-phenylpyridine);pyridine.

What is the SMILES notation for 2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylthiophen-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);iridium(3+);9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;tris(2-phenylpyridine);pyridine?

The canonical SMILES for 2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylthiophen-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);iridium(3+);9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;tris(2-phenylpyridine);pyridine is Cc1cccc(C)c1N1C=CN(c2[c-]cc(-c3oc(-c4cccc(-c5ccccc5-c5cc[c-]c(-c6ccccn6)c5)c4)c(C)c3C)cc2)[CH-]1.Cc1cccc(C)c1N1C=CN(c2[c-]cc(-c3sc(-c4cccc(-c5ccccc5-c5cc[c-]c(-c6ccccn6)c5)c4)c(C)c3C)cc2)[CH-]1.[Ir+3].[Ir].[Ir].[c-]1cccc(-c2cccc(-c3ccc4c(c3)c3c(-c5cc[c-]c(-c6ccccn6)c5)cccc3n4-c3ccccc3)c2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccncc1.

What is the InChIKey of 2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylthiophen-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);iridium(3+);9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;tris(2-phenylpyridine);pyridine?

The InChIKey is OKEWDLZWEAGHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N3O.C46H36N3S.C41H26N2.3C11H8N.C5H5N.3Ir/c2*1-31-12-9-13-32(2)44(31)49-27-26-48(30-49)40-23-21-35(22-24-40)45-33(3)34(4)46(50-45)39-17-11-15-37(29-39)42-19-6-5-18-41(42)36-14-10-16-38(28-36)43-20-7-8-25-47-43;1-3-12-29(13-4-1)30-14-9-15-31(26-30)32-23-24-39-37(28-32)41-36(20-11-22-40(41)43(39)35-18-5-2-6-19-35)33-16-10-17-34(27-33)38-21-7-8-25-42-38;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-4-6-5-3-1;;;/h2*5-15,17-23,25-30H,1-4H3;1-3,5-16,18-28H;3*1-6,8-9H;1-5H;;;/q2*-3;-2;3*-1;;;;+3.

What are the key properties of 2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylthiophen-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);iridium(3+);9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;tris(2-phenylpyridine);pyridine?

2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylthiophen-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);iridium(3+);9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;tris(2-phenylpyridine);pyridine has a molecular weight of 2974.70 g/mol, XLogP of 43.16, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-[3-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]-3,4-dimethylthiophen-2-yl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);iridium(3+);9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole;tris(2-phenylpyridine);pyridine is sourced from PubChem (CID 162274371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).