8-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]propan-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium);2-methyl-8-(3-phenylbenzene-2-id-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-methyl-3-[(3-phenyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;2-(3-phenyl-2H-imidazol-2-id-1-yl)pyridine

C88H75Ir2N11O2-10 — CID 161435368

About 8-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]propan-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium);2-methyl-8-(3-phenylbenzene-2-id-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-methyl-3-[(3-phenyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;2-(3-phenyl-2H-imidazol-2-id-1-yl)pyridine

8-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]propan-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium);2-methyl-8-(3-phenylbenzene-2-id-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-methyl-3-[(3-phenyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;2-(3-phenyl-2H-imidazol-2-id-1-yl)pyridine (PubChem CID 161435368) has the molecular formula C88H75Ir2N11O2-10 and a molecular weight of 1703.08 g/mol. Its IUPAC name is 8-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]propan-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium);2-methyl-8-(3-phenylbenzene-2-id-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-methyl-3-[(3-phenyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;2-(3-phenyl-2H-imidazol-2-id-1-yl)pyridine.

Molecular Properties

• Compound Name: 8-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]propan-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium);2-methyl-8-(3-phenylbenzene-2-id-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-methyl-3-[(3-phenyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;2-(3-phenyl-2H-imidazol-2-id-1-yl)pyridine
• PubChem CID: 161435368
• Molecular Formula: C88H75Ir2N11O2-10
• Molecular Weight: 1703.08 g/mol
• Exact Mass: 1703.54
• IUPAC Name: 8-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]propan-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium);2-methyl-8-(3-phenylbenzene-2-id-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-methyl-3-[(3-phenyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;2-(3-phenyl-2H-imidazol-2-id-1-yl)pyridine
• SMILES: CN1C=CN(CN2C=CN(c3[c-]cccc3)[CH-]2)[CH-]1.Cc1ccc2c(n1)oc1c(-c3[c-]c(-c4[c-]cccc4)ccc3)[c-]ccc12.Cc1ccc2c(n1)oc1c(C(C)(C)c3[c-]c(-c4nccn4-c4c(C(C)C)cccc4C(C)C)ccc3)[c-]ccc12.[Ir].[Ir].[c-]1ccccc1N1C=CN(c2ccccn2)[CH-]1
• InChI: InChI=1S/C36H35N3O.C24H14NO.C14H15N4.C14H11N3.2Ir/c1-22(2)27-13-9-14-28(23(3)4)32(27)39-20-19-37-34(39)25-11-8-12-26(21-25)36(6,7)31-16-10-15-29-30-18-17-24(5)38-35(30)40-33(29)31;1-16-13-14-22-21-12-6-11-20(23(21)26-24(22)25-16)19-10-5-9-18(15-19)17-7-3-2-4-8-17;1-15-7-8-16(11-15)12-17-9-10-18(13-17)14-5-3-2-4-6-14;1-2-6-13(7-3-1)16-10-11-17(12-16)14-8-4-5-9-15-14;;/h8-15,17-20,22-23H,1-7H3;2-7,9-10,12-14H,1H3;2-5,7-11,13H,12H2,1H3;1-6,8-12H;;/q-2;2*-3;-2
• InChIKey: NILPPXHYICTWKF-UHFFFAOYSA-N
• XLogP: 20.13
• TPSA: 102.21 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1703.08
LogP ≤ 5	20.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]propan-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium);2-methyl-8-(3-phenylbenzene-2-id-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-methyl-3-[(3-phenyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;2-(3-phenyl-2H-imidazol-2-id-1-yl)pyridine?

The IUPAC name of 8-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]propan-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium);2-methyl-8-(3-phenylbenzene-2-id-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-methyl-3-[(3-phenyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;2-(3-phenyl-2H-imidazol-2-id-1-yl)pyridine (CID 161435368) is 8-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]propan-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium);2-methyl-8-(3-phenylbenzene-2-id-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-methyl-3-[(3-phenyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;2-(3-phenyl-2H-imidazol-2-id-1-yl)pyridine.

What is the SMILES notation for 8-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]propan-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium);2-methyl-8-(3-phenylbenzene-2-id-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-methyl-3-[(3-phenyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;2-(3-phenyl-2H-imidazol-2-id-1-yl)pyridine?

The canonical SMILES for 8-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]propan-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium);2-methyl-8-(3-phenylbenzene-2-id-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-methyl-3-[(3-phenyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;2-(3-phenyl-2H-imidazol-2-id-1-yl)pyridine is CN1C=CN(CN2C=CN(c3[c-]cccc3)[CH-]2)[CH-]1.Cc1ccc2c(n1)oc1c(-c3[c-]c(-c4[c-]cccc4)ccc3)[c-]ccc12.Cc1ccc2c(n1)oc1c(C(C)(C)c3[c-]c(-c4nccn4-c4c(C(C)C)cccc4C(C)C)ccc3)[c-]ccc12.[Ir].[Ir].[c-]1ccccc1N1C=CN(c2ccccn2)[CH-]1.

What is the InChIKey of 8-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]propan-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium);2-methyl-8-(3-phenylbenzene-2-id-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-methyl-3-[(3-phenyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;2-(3-phenyl-2H-imidazol-2-id-1-yl)pyridine?

The InChIKey is NILPPXHYICTWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N3O.C24H14NO.C14H15N4.C14H11N3.2Ir/c1-22(2)27-13-9-14-28(23(3)4)32(27)39-20-19-37-34(39)25-11-8-12-26(21-25)36(6,7)31-16-10-15-29-30-18-17-24(5)38-35(30)40-33(29)31;1-16-13-14-22-21-12-6-11-20(23(21)26-24(22)25-16)19-10-5-9-18(15-19)17-7-3-2-4-8-17;1-15-7-8-16(11-15)12-17-9-10-18(13-17)14-5-3-2-4-6-14;1-2-6-13(7-3-1)16-10-11-17(12-16)14-8-4-5-9-15-14;;/h8-15,17-20,22-23H,1-7H3;2-7,9-10,12-14H,1H3;2-5,7-11,13H,12H2,1H3;1-6,8-12H;;/q-2;2*-3;-2;;.

What are the key properties of 8-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]propan-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium);2-methyl-8-(3-phenylbenzene-2-id-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-methyl-3-[(3-phenyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;2-(3-phenyl-2H-imidazol-2-id-1-yl)pyridine?

8-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]propan-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium);2-methyl-8-(3-phenylbenzene-2-id-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-methyl-3-[(3-phenyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;2-(3-phenyl-2H-imidazol-2-id-1-yl)pyridine has a molecular weight of 1703.08 g/mol, XLogP of 20.13, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-2-id-1-yl]propan-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium);2-methyl-8-(3-phenylbenzene-2-id-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;1-methyl-3-[(3-phenyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;2-(3-phenyl-2H-imidazol-2-id-1-yl)pyridine is sourced from PubChem (CID 161435368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).