1-dibenzofuran-1-yl-2-phenylimidazole;1-dibenzofuran-2-yl-2-phenylimidazole;1-dibenzofuran-3-yl-2-phenylimidazole;1-dibenzofuran-4-yl-2-phenylimidazole;1-dibenzothiophen-1-yl-2-phenylimidazole;1-dibenzothiophen-2-yl-2-phenylimidazole;1-dibenzothiophen-3-yl-2-phenylimidazole;1-dibenzothiophen-4-yl-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole;nonakis(iridium)

C222H154Ir9N20O5S5-10 — CID 157141431

About 1-dibenzofuran-1-yl-2-phenylimidazole;1-dibenzofuran-2-yl-2-phenylimidazole;1-dibenzofuran-3-yl-2-phenylimidazole;1-dibenzofuran-4-yl-2-phenylimidazole;1-dibenzothiophen-1-yl-2-phenylimidazole;1-dibenzothiophen-2-yl-2-phenylimidazole;1-dibenzothiophen-3-yl-2-phenylimidazole;1-dibenzothiophen-4-yl-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole;nonakis(iridium)

1-dibenzofuran-1-yl-2-phenylimidazole;1-dibenzofuran-2-yl-2-phenylimidazole;1-dibenzofuran-3-yl-2-phenylimidazole;1-dibenzofuran-4-yl-2-phenylimidazole;1-dibenzothiophen-1-yl-2-phenylimidazole;1-dibenzothiophen-2-yl-2-phenylimidazole;1-dibenzothiophen-3-yl-2-phenylimidazole;1-dibenzothiophen-4-yl-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole;nonakis(iridium) (PubChem CID 157141431) has the molecular formula C222H154Ir9N20O5S5-10 and a molecular weight of 5072.10 g/mol. Its IUPAC name is 1-dibenzofuran-1-yl-2-phenylimidazole;1-dibenzofuran-2-yl-2-phenylimidazole;1-dibenzofuran-3-yl-2-phenylimidazole;1-dibenzofuran-4-yl-2-phenylimidazole;1-dibenzothiophen-1-yl-2-phenylimidazole;1-dibenzothiophen-2-yl-2-phenylimidazole;1-dibenzothiophen-3-yl-2-phenylimidazole;1-dibenzothiophen-4-yl-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole;nonakis(iridium).

Molecular Properties

• Compound Name: 1-dibenzofuran-1-yl-2-phenylimidazole;1-dibenzofuran-2-yl-2-phenylimidazole;1-dibenzofuran-3-yl-2-phenylimidazole;1-dibenzofuran-4-yl-2-phenylimidazole;1-dibenzothiophen-1-yl-2-phenylimidazole;1-dibenzothiophen-2-yl-2-phenylimidazole;1-dibenzothiophen-3-yl-2-phenylimidazole;1-dibenzothiophen-4-yl-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole;nonakis(iridium)
• PubChem CID: 157141431
• Molecular Formula: C222H154Ir9N20O5S5-10
• Molecular Weight: 5072.10 g/mol
• Exact Mass: 5075.77
• IUPAC Name: 1-dibenzofuran-1-yl-2-phenylimidazole;1-dibenzofuran-2-yl-2-phenylimidazole;1-dibenzofuran-3-yl-2-phenylimidazole;1-dibenzofuran-4-yl-2-phenylimidazole;1-dibenzothiophen-1-yl-2-phenylimidazole;1-dibenzothiophen-2-yl-2-phenylimidazole;1-dibenzothiophen-3-yl-2-phenylimidazole;1-dibenzothiophen-4-yl-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole;nonakis(iridium)
• SMILES: CC(C)c1cc2c(oc3ccccc32)c(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc2c(sc3ccccc32)c(C(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccc2c(c1)oc1ccccc12.[c-]1ccccc1-c1nccn1-c1ccc2c(c1)sc1ccccc12.[c-]1ccccc1-c1nccn1-c1ccc2oc3ccccc3c2c1.[c-]1ccccc1-c1nccn1-c1ccc2sc3ccccc3c2c1.[c-]1ccccc1-c1nccn1-c1cccc2c1oc1ccccc12.[c-]1ccccc1-c1nccn1-c1cccc2c1sc1ccccc12.[c-]1ccccc1-c1nccn1-c1cccc2oc3ccccc3c12.[c-]1ccccc1-c1nccn1-c1cccc2sc3ccccc3c12
• InChI: InChI=1S/C27H25N2O.C27H25N2S.4C21H13N2O.4C21H13N2S.9Ir/c2*1-17(2)21-16-22-20-12-8-9-13-23(20)30-26(22)24(18(3)4)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19;1-2-7-15(8-3-1)21-22-13-14-23(21)18-11-6-10-17-16-9-4-5-12-19(16)24-20(17)18;1-2-7-15(8-3-1)21-22-13-14-23(21)17-10-6-12-19-20(17)16-9-4-5-11-18(16)24-19;1-2-6-15(7-3-1)21-22-12-13-23(21)16-10-11-20-18(14-16)17-8-4-5-9-19(17)24-20;1-2-6-15(7-3-1)21-22-12-13-23(21)16-10-11-18-17-8-4-5-9-19(17)24-20(18)14-16;1-2-7-15(8-3-1)21-22-13-14-23(21)18-11-6-10-17-16-9-4-5-12-19(16)24-20(17)18;1-2-7-15(8-3-1)21-22-13-14-23(21)17-10-6-12-19-20(17)16-9-4-5-11-18(16)24-19;1-2-6-15(7-3-1)21-22-12-13-23(21)16-10-11-20-18(14-16)17-8-4-5-9-19(17)24-20;1-2-6-15(7-3-1)21-22-12-13-23(21)16-10-11-18-17-8-4-5-9-19(17)24-20(18)14-16;;;;;;;;;/h2*5-10,12-18H,1-4H3;2*1-7,9-14H;2*1-6,8-14H;2*1-7,9-14H;2*1-6,8-14H;;;;;;;;;/q10*-1
• InChIKey: SIEOTDYFTGNLQE-UHFFFAOYSA-N
• XLogP: 59.20
• TPSA: 243.90 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 261
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5072.10
LogP ≤ 5	59.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-1-yl-2-phenylimidazole;1-dibenzofuran-2-yl-2-phenylimidazole;1-dibenzofuran-3-yl-2-phenylimidazole;1-dibenzofuran-4-yl-2-phenylimidazole;1-dibenzothiophen-1-yl-2-phenylimidazole;1-dibenzothiophen-2-yl-2-phenylimidazole;1-dibenzothiophen-3-yl-2-phenylimidazole;1-dibenzothiophen-4-yl-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole;nonakis(iridium)?

The IUPAC name of 1-dibenzofuran-1-yl-2-phenylimidazole;1-dibenzofuran-2-yl-2-phenylimidazole;1-dibenzofuran-3-yl-2-phenylimidazole;1-dibenzofuran-4-yl-2-phenylimidazole;1-dibenzothiophen-1-yl-2-phenylimidazole;1-dibenzothiophen-2-yl-2-phenylimidazole;1-dibenzothiophen-3-yl-2-phenylimidazole;1-dibenzothiophen-4-yl-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole;nonakis(iridium) (CID 157141431) is 1-dibenzofuran-1-yl-2-phenylimidazole;1-dibenzofuran-2-yl-2-phenylimidazole;1-dibenzofuran-3-yl-2-phenylimidazole;1-dibenzofuran-4-yl-2-phenylimidazole;1-dibenzothiophen-1-yl-2-phenylimidazole;1-dibenzothiophen-2-yl-2-phenylimidazole;1-dibenzothiophen-3-yl-2-phenylimidazole;1-dibenzothiophen-4-yl-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole;nonakis(iridium).

What is the SMILES notation for 1-dibenzofuran-1-yl-2-phenylimidazole;1-dibenzofuran-2-yl-2-phenylimidazole;1-dibenzofuran-3-yl-2-phenylimidazole;1-dibenzofuran-4-yl-2-phenylimidazole;1-dibenzothiophen-1-yl-2-phenylimidazole;1-dibenzothiophen-2-yl-2-phenylimidazole;1-dibenzothiophen-3-yl-2-phenylimidazole;1-dibenzothiophen-4-yl-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole;nonakis(iridium)?

The canonical SMILES for 1-dibenzofuran-1-yl-2-phenylimidazole;1-dibenzofuran-2-yl-2-phenylimidazole;1-dibenzofuran-3-yl-2-phenylimidazole;1-dibenzofuran-4-yl-2-phenylimidazole;1-dibenzothiophen-1-yl-2-phenylimidazole;1-dibenzothiophen-2-yl-2-phenylimidazole;1-dibenzothiophen-3-yl-2-phenylimidazole;1-dibenzothiophen-4-yl-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole;nonakis(iridium) is CC(C)c1cc2c(oc3ccccc32)c(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc2c(sc3ccccc32)c(C(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccc2c(c1)oc1ccccc12.[c-]1ccccc1-c1nccn1-c1ccc2c(c1)sc1ccccc12.[c-]1ccccc1-c1nccn1-c1ccc2oc3ccccc3c2c1.[c-]1ccccc1-c1nccn1-c1ccc2sc3ccccc3c2c1.[c-]1ccccc1-c1nccn1-c1cccc2c1oc1ccccc12.[c-]1ccccc1-c1nccn1-c1cccc2c1sc1ccccc12.[c-]1ccccc1-c1nccn1-c1cccc2oc3ccccc3c12.[c-]1ccccc1-c1nccn1-c1cccc2sc3ccccc3c12.

What is the InChIKey of 1-dibenzofuran-1-yl-2-phenylimidazole;1-dibenzofuran-2-yl-2-phenylimidazole;1-dibenzofuran-3-yl-2-phenylimidazole;1-dibenzofuran-4-yl-2-phenylimidazole;1-dibenzothiophen-1-yl-2-phenylimidazole;1-dibenzothiophen-2-yl-2-phenylimidazole;1-dibenzothiophen-3-yl-2-phenylimidazole;1-dibenzothiophen-4-yl-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole;nonakis(iridium)?

The InChIKey is SIEOTDYFTGNLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N2O.C27H25N2S.4C21H13N2O.4C21H13N2S.9Ir/c2*1-17(2)21-16-22-20-12-8-9-13-23(20)30-26(22)24(18(3)4)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19;1-2-7-15(8-3-1)21-22-13-14-23(21)18-11-6-10-17-16-9-4-5-12-19(16)24-20(17)18;1-2-7-15(8-3-1)21-22-13-14-23(21)17-10-6-12-19-20(17)16-9-4-5-11-18(16)24-19;1-2-6-15(7-3-1)21-22-12-13-23(21)16-10-11-20-18(14-16)17-8-4-5-9-19(17)24-20;1-2-6-15(7-3-1)21-22-12-13-23(21)16-10-11-18-17-8-4-5-9-19(17)24-20(18)14-16;1-2-7-15(8-3-1)21-22-13-14-23(21)18-11-6-10-17-16-9-4-5-12-19(16)24-20(17)18;1-2-7-15(8-3-1)21-22-13-14-23(21)17-10-6-12-19-20(17)16-9-4-5-11-18(16)24-19;1-2-6-15(7-3-1)21-22-12-13-23(21)16-10-11-20-18(14-16)17-8-4-5-9-19(17)24-20;1-2-6-15(7-3-1)21-22-12-13-23(21)16-10-11-18-17-8-4-5-9-19(17)24-20(18)14-16;;;;;;;;;/h2*5-10,12-18H,1-4H3;2*1-7,9-14H;2*1-6,8-14H;2*1-7,9-14H;2*1-6,8-14H;;;;;;;;;/q10*-1;;;;;;;;;.

What are the key properties of 1-dibenzofuran-1-yl-2-phenylimidazole;1-dibenzofuran-2-yl-2-phenylimidazole;1-dibenzofuran-3-yl-2-phenylimidazole;1-dibenzofuran-4-yl-2-phenylimidazole;1-dibenzothiophen-1-yl-2-phenylimidazole;1-dibenzothiophen-2-yl-2-phenylimidazole;1-dibenzothiophen-3-yl-2-phenylimidazole;1-dibenzothiophen-4-yl-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole;nonakis(iridium)?

1-dibenzofuran-1-yl-2-phenylimidazole;1-dibenzofuran-2-yl-2-phenylimidazole;1-dibenzofuran-3-yl-2-phenylimidazole;1-dibenzofuran-4-yl-2-phenylimidazole;1-dibenzothiophen-1-yl-2-phenylimidazole;1-dibenzothiophen-2-yl-2-phenylimidazole;1-dibenzothiophen-3-yl-2-phenylimidazole;1-dibenzothiophen-4-yl-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole;nonakis(iridium) has a molecular weight of 5072.10 g/mol, XLogP of 59.20, 24 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-dibenzofuran-1-yl-2-phenylimidazole;1-dibenzofuran-2-yl-2-phenylimidazole;1-dibenzofuran-3-yl-2-phenylimidazole;1-dibenzofuran-4-yl-2-phenylimidazole;1-dibenzothiophen-1-yl-2-phenylimidazole;1-dibenzothiophen-2-yl-2-phenylimidazole;1-dibenzothiophen-3-yl-2-phenylimidazole;1-dibenzothiophen-4-yl-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole;nonakis(iridium) is sourced from PubChem (CID 157141431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).