3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide

C₈₀H₆₈Ir₄N₁₂-8 — CID 159417650

About 3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide

3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide (PubChem CID 159417650) has the molecular formula C₈₀H₆₈Ir₄N₁₂-8 and a molecular weight of 1966.38 g/mol. Its IUPAC name is 3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide.

Molecular Properties

• Compound Name: 3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide
• PubChem CID: 159417650
• Molecular Formula: C₈₀H₆₈Ir₄N₁₂-8
• Molecular Weight: 1966.38 g/mol
• Exact Mass: 1968.43
• IUPAC Name: 3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide
• SMILES: Cc1ccccc1N1[CH-]N(c2[c-]cc(C(C)(C)C)cc2)c2ncccc21.Cc1ccccc1N1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1ccccc1N1[CH-]N(c2[c-]cccc2)c2cccnc21.Cc1ccccc1N1[CH-]N(c2[c-]cccc2)c2nccnc21.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H23N3.C20H16N2.C19H15N3.C18H14N4.4Ir/c1-17-8-5-6-9-20(17)26-16-25(22-21(26)10-7-15-24-22)19-13-11-18(12-14-19)23(2,3)4;1-16-9-5-6-12-18(16)22-15-21(17-10-3-2-4-11-17)19-13-7-8-14-20(19)22;1-15-8-5-6-11-17(15)22-14-21(16-9-3-2-4-10-16)18-12-7-13-20-19(18)22;1-14-7-5-6-10-16(14)22-13-21(15-8-3-2-4-9-15)17-18(22)20-12-11-19-17;;;;/h5-13,15-16H,1-4H3;2-10,12-15H,1H3;2-9,11-14H,1H3;2-8,10-13H,1H3;;;;/q4*-2
• InChIKey: VGRRMKUQFSNOQJ-UHFFFAOYSA-N
• XLogP: 19.68
• TPSA: 77.48 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1966.38
LogP ≤ 5	19.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide?

The IUPAC name of 3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide (CID 159417650) is 3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide.

What is the SMILES notation for 3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide?

The canonical SMILES for 3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide is Cc1ccccc1N1[CH-]N(c2[c-]cc(C(C)(C)C)cc2)c2ncccc21.Cc1ccccc1N1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1ccccc1N1[CH-]N(c2[c-]cccc2)c2cccnc21.Cc1ccccc1N1[CH-]N(c2[c-]cccc2)c2nccnc21.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide?

The InChIKey is VGRRMKUQFSNOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3.C20H16N2.C19H15N3.C18H14N4.4Ir/c1-17-8-5-6-9-20(17)26-16-25(22-21(26)10-7-15-24-22)19-13-11-18(12-14-19)23(2,3)4;1-16-9-5-6-12-18(16)22-15-21(17-10-3-2-4-11-17)19-13-7-8-14-20(19)22;1-15-8-5-6-11-17(15)22-14-21(16-9-3-2-4-10-16)18-12-7-13-20-19(18)22;1-14-7-5-6-10-16(14)22-13-21(15-8-3-2-4-9-15)17-18(22)20-12-11-19-17;;;;/h5-13,15-16H,1-4H3;2-10,12-15H,1H3;2-9,11-14H,1H3;2-8,10-13H,1H3;;;;/q4*-2;;;;.

What are the key properties of 3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide?

3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide has a molecular weight of 1966.38 g/mol, XLogP of 19.68, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide is sourced from PubChem (CID 159417650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159417650 — identifiers, structure, computed properties (public domain)

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