5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide

C139H112Ir4N26-16 — CID 159971487

About 5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide

5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide (PubChem CID 159971487) has the molecular formula C139H112Ir4N26-16 and a molecular weight of 2915.47 g/mol. Its IUPAC name is 5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide.

Molecular Properties

• Compound Name: 5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide
• PubChem CID: 159971487
• Molecular Formula: C139H112Ir4N26-16
• Molecular Weight: 2915.47 g/mol
• Exact Mass: 2916.82
• IUPAC Name: 5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cnc2c(n1)N(c1[c-]cccc1)[CH-]N2c1ccccc1.CN1[CH-]N(c2[c-]cccc2)c2cncnc21.CN1[CH-]N(c2[c-]cccc2)c2nccnc21.CN1[CH-]N(c2[c-]cccc2)c2ncncc21.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2ccccc21.[c-]1ccccc1N1[CH-]N(c2ccccc2)c2ccccc21.[c-]1ccccc1N1[CH-]N(c2ccccc2)c2ccccc21.[c-]1ccccc1N1[CH-]N(c2ccccc2)c2nccnc21
• InChI: InChI=1S/C29H28N4.3C19H14N2.C17H12N4.3C12H10N4.4Ir/c1-20(2)24-16-11-17-25(21(3)4)27(24)26-18-30-28-29(31-26)33(23-14-9-6-10-15-23)19-32(28)22-12-7-5-8-13-22;3*1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;1-3-7-14(8-4-1)20-13-21(15-9-5-2-6-10-15)17-16(20)18-11-12-19-17;1-15-9-16(10-5-3-2-4-6-10)11-7-13-8-14-12(11)15;1-15-9-16(10-5-3-2-4-6-10)12-11(15)7-13-8-14-12;1-15-9-16(10-5-3-2-4-6-10)12-11(15)13-7-8-14-12;;;;/h5-14,16-21H,1-4H3;3*1-11,13-15H;1-9,11-13H;3*2-5,7-9H,1H3;;;;/q8*-2
• InChIKey: VYPYKSRMZRQNFM-UHFFFAOYSA-N
• XLogP: 31.92
• TPSA: 180.74 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2915.47
LogP ≤ 5	31.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide?

The IUPAC name of 5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide (CID 159971487) is 5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide.

What is the SMILES notation for 5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide?

The canonical SMILES for 5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide is CC(C)c1cccc(C(C)C)c1-c1cnc2c(n1)N(c1[c-]cccc1)[CH-]N2c1ccccc1.CN1[CH-]N(c2[c-]cccc2)c2cncnc21.CN1[CH-]N(c2[c-]cccc2)c2nccnc21.CN1[CH-]N(c2[c-]cccc2)c2ncncc21.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1N1[CH-]N(c2ccccc2)c2ccccc21.[c-]1ccccc1N1[CH-]N(c2ccccc2)c2ccccc21.[c-]1ccccc1N1[CH-]N(c2ccccc2)c2ccccc21.[c-]1ccccc1N1[CH-]N(c2ccccc2)c2nccnc21.

What is the InChIKey of 5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide?

The InChIKey is VYPYKSRMZRQNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4.3C19H14N2.C17H12N4.3C12H10N4.4Ir/c1-20(2)24-16-11-17-25(21(3)4)27(24)26-18-30-28-29(31-26)33(23-14-9-6-10-15-23)19-32(28)22-12-7-5-8-13-22;3*1-3-9-16(10-4-1)20-15-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20;1-3-7-14(8-4-1)20-13-21(15-9-5-2-6-10-15)17-16(20)18-11-12-19-17;1-15-9-16(10-5-3-2-4-6-10)11-7-13-8-14-12(11)15;1-15-9-16(10-5-3-2-4-6-10)12-11(15)7-13-8-14-12;1-15-9-16(10-5-3-2-4-6-10)12-11(15)13-7-8-14-12;;;;/h5-14,16-21H,1-4H3;3*1-11,13-15H;1-9,11-13H;3*2-5,7-9H,1H3;;;;/q8*-2;;;;.

What are the key properties of 5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide?

5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide has a molecular weight of 2915.47 g/mol, XLogP of 31.92, 16 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-di(propan-2-yl)phenyl]-1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;tris(1-phenyl-3-phenyl-2H-benzimidazol-2-ide);1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide is sourced from PubChem (CID 159971487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).