3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane

C85H68F3Ir4N13OSi-8 — CID 157133461

About 3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane

3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane (PubChem CID 157133461) has the molecular formula C85H68F3Ir4N13OSi-8 and a molecular weight of 2141.52 g/mol. Its IUPAC name is 3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane.

Molecular Properties

• Compound Name: 3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane
• PubChem CID: 157133461
• Molecular Formula: C85H68F3Ir4N13OSi-8
• Molecular Weight: 2141.52 g/mol
• Exact Mass: 2143.40
• IUPAC Name: 3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane
• SMILES: CC(C)N1[CH-]N(c2[c-]cc3oc4ccccc4c3c2)c2ncccc21.CN1[CH-]N(c2[c-]cccc2)c2ncccc21.C[Si](C)(C)c1cc(-c2cccnc2)c2c(n1)N(c1[c-]cccc1)[CH-]N2c1ccccc1.FC(F)(F)c1cc(-c2ccccc2)c2c(n1)N(c1[c-]cccc1)[CH-]N2c1ccccc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C26H24N4Si.C25H16F3N3.C21H17N3O.C13H11N3.4Ir/c1-31(2,3)24-17-23(20-11-10-16-27-18-20)25-26(28-24)30(22-14-8-5-9-15-22)19-29(25)21-12-6-4-7-13-21;26-25(27,28)22-16-21(18-10-4-1-5-11-18)23-24(29-22)31(20-14-8-3-9-15-20)17-30(23)19-12-6-2-7-13-19;1-14(2)23-13-24(21-18(23)7-5-11-22-21)15-9-10-20-17(12-15)16-6-3-4-8-19(16)25-20;1-15-10-16(11-6-3-2-4-7-11)13-12(15)8-5-9-14-13;;;;/h4-14,16-19H,1-3H3;1-14,16-17H;3-8,10-14H,1-2H3;2-6,8-10H,1H3;;;;/q4*-2
• InChIKey: KNYBSPWSMDCJQG-UHFFFAOYSA-N
• XLogP: 20.72
• TPSA: 103.51 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2141.52
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane?

The IUPAC name of 3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane (CID 157133461) is 3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane.

What is the SMILES notation for 3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane?

The canonical SMILES for 3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane is CC(C)N1[CH-]N(c2[c-]cc3oc4ccccc4c3c2)c2ncccc21.CN1[CH-]N(c2[c-]cccc2)c2ncccc21.C[Si](C)(C)c1cc(-c2cccnc2)c2c(n1)N(c1[c-]cccc1)[CH-]N2c1ccccc1.FC(F)(F)c1cc(-c2ccccc2)c2c(n1)N(c1[c-]cccc1)[CH-]N2c1ccccc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane?

The InChIKey is KNYBSPWSMDCJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4Si.C25H16F3N3.C21H17N3O.C13H11N3.4Ir/c1-31(2,3)24-17-23(20-11-10-16-27-18-20)25-26(28-24)30(22-14-8-5-9-15-22)19-29(25)21-12-6-4-7-13-21;26-25(27,28)22-16-21(18-10-4-1-5-11-18)23-24(29-22)31(20-14-8-3-9-15-20)17-30(23)19-12-6-2-7-13-19;1-14(2)23-13-24(21-18(23)7-5-11-22-21)15-9-10-20-17(12-15)16-6-3-4-8-19(16)25-20;1-15-10-16(11-6-3-2-4-7-11)13-12(15)8-5-9-14-13;;;;/h4-14,16-19H,1-3H3;1-14,16-17H;3-8,10-14H,1-2H3;2-6,8-10H,1H3;;;;/q4*-2;;;;.

What are the key properties of 3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane?

3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane has a molecular weight of 2141.52 g/mol, XLogP of 20.72, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane is sourced from PubChem (CID 157133461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).