1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4H-pyridin-4-ide;tetrakis(N-pyridin-2-ylpyridin-1-id-2-imine)

C86H70F3Ir4N21O-4 — CID 158740741

About 1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4H-pyridin-4-ide;tetrakis(N-pyridin-2-ylpyridin-1-id-2-imine)

1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4H-pyridin-4-ide;tetrakis(N-pyridin-2-ylpyridin-1-id-2-imine) (PubChem CID 158740741) has the molecular formula C86H70F3Ir4N21O-4 and a molecular weight of 2239.51 g/mol. Its IUPAC name is 1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4H-pyridin-4-ide;tetrakis(N-pyridin-2-ylpyridin-1-id-2-imine).

Molecular Properties

• Compound Name: 1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4H-pyridin-4-ide;tetrakis(N-pyridin-2-ylpyridin-1-id-2-imine)
• PubChem CID: 158740741
• Molecular Formula: C86H70F3Ir4N21O-4
• Molecular Weight: 2239.51 g/mol
• Exact Mass: 2241.46
• IUPAC Name: 1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4H-pyridin-4-ide;tetrakis(N-pyridin-2-ylpyridin-1-id-2-imine)
• SMILES: CN1C=CN(c2[c-]cc3c(c2)oc2ccccc23)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.Cn1cc(C(F)(F)F)nc1-c1[c-]ccnc1.Cn1ccnc1-c1[c-]cccc1.[Ir+3].[Ir+3].[Ir].[Ir].c1ccc(N=c2cccc[n-]2)nc1.c1ccc(N=c2cccc[n-]2)nc1.c1ccc(N=c2cccc[n-]2)nc1.c1ccc(N=c2cccc[n-]2)nc1
• InChI: InChI=1S/C16H12N2O.C10H7F3N3.4C10H8N3.C10H10N2.C10H9N2.4Ir/c1-17-8-9-18(11-17)12-6-7-14-13-4-2-3-5-15(13)19-16(14)10-12;1-16-6-8(10(11,12)13)15-9(16)7-3-2-4-14-5-7;4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;1-11-7-8-12(9-11)10-5-3-2-4-6-10;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;/h2-5,7-11H,1H3;2,4-6H,1H3;4*1-8H;2-5,7-9H,1H3;2-5,7-8H,1H3;;;;/q-2;5*-1;-2;-1;;;2*+3
• InChIKey: ANWMJBWSESSHBV-UHFFFAOYSA-N
• XLogP: 14.82
• TPSA: 232.03 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2239.51
LogP ≤ 5	14.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4H-pyridin-4-ide;tetrakis(N-pyridin-2-ylpyridin-1-id-2-imine)?

The IUPAC name of 1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4H-pyridin-4-ide;tetrakis(N-pyridin-2-ylpyridin-1-id-2-imine) (CID 158740741) is 1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4H-pyridin-4-ide;tetrakis(N-pyridin-2-ylpyridin-1-id-2-imine).

What is the SMILES notation for 1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4H-pyridin-4-ide;tetrakis(N-pyridin-2-ylpyridin-1-id-2-imine)?

The canonical SMILES for 1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4H-pyridin-4-ide;tetrakis(N-pyridin-2-ylpyridin-1-id-2-imine) is CN1C=CN(c2[c-]cc3c(c2)oc2ccccc23)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.Cn1cc(C(F)(F)F)nc1-c1[c-]ccnc1.Cn1ccnc1-c1[c-]cccc1.[Ir+3].[Ir+3].[Ir].[Ir].c1ccc(N=c2cccc[n-]2)nc1.c1ccc(N=c2cccc[n-]2)nc1.c1ccc(N=c2cccc[n-]2)nc1.c1ccc(N=c2cccc[n-]2)nc1.

What is the InChIKey of 1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4H-pyridin-4-ide;tetrakis(N-pyridin-2-ylpyridin-1-id-2-imine)?

The InChIKey is ANWMJBWSESSHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O.C10H7F3N3.4C10H8N3.C10H10N2.C10H9N2.4Ir/c1-17-8-9-18(11-17)12-6-7-14-13-4-2-3-5-15(13)19-16(14)10-12;1-16-6-8(10(11,12)13)15-9(16)7-3-2-4-14-5-7;4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;1-11-7-8-12(9-11)10-5-3-2-4-6-10;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;/h2-5,7-11H,1H3;2,4-6H,1H3;4*1-8H;2-5,7-9H,1H3;2-5,7-8H,1H3;;;;/q-2;5*-1;-2;-1;;;2*+3.

What are the key properties of 1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4H-pyridin-4-ide;tetrakis(N-pyridin-2-ylpyridin-1-id-2-imine)?

1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4H-pyridin-4-ide;tetrakis(N-pyridin-2-ylpyridin-1-id-2-imine) has a molecular weight of 2239.51 g/mol, XLogP of 14.82, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4H-pyridin-4-ide;tetrakis(N-pyridin-2-ylpyridin-1-id-2-imine) is sourced from PubChem (CID 158740741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).