2-[3-[4-[4,5-dimethyl-3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);2-[3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;1-(3H-pyridin-3-id-2-yl)-3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-benzimidazol-2-id-1-yl]butyl]-2H-benzimidazol-2-ide;3-(3H-pyridin-3-id-2-yl)-1-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyridin-2-ide

C158H158Ir4N42-24 — CID 158092577

About 2-[3-[4-[4,5-dimethyl-3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);2-[3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;1-(3H-pyridin-3-id-2-yl)-3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-benzimidazol-2-id-1-yl]butyl]-2H-benzimidazol-2-ide;3-(3H-pyridin-3-id-2-yl)-1-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyridin-2-ide

2-[3-[4-[4,5-dimethyl-3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);2-[3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;1-(3H-pyridin-3-id-2-yl)-3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-benzimidazol-2-id-1-yl]butyl]-2H-benzimidazol-2-ide;3-(3H-pyridin-3-id-2-yl)-1-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyridin-2-ide (PubChem CID 158092577) has the molecular formula C158H158Ir4N42-24 and a molecular weight of 3414.16 g/mol. Its IUPAC name is 2-[3-[4-[4,5-dimethyl-3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);2-[3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;1-(3H-pyridin-3-id-2-yl)-3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-benzimidazol-2-id-1-yl]butyl]-2H-benzimidazol-2-ide;3-(3H-pyridin-3-id-2-yl)-1-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyridin-2-ide.

Molecular Properties

• Compound Name: 2-[3-[4-[4,5-dimethyl-3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);2-[3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;1-(3H-pyridin-3-id-2-yl)-3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-benzimidazol-2-id-1-yl]butyl]-2H-benzimidazol-2-ide;3-(3H-pyridin-3-id-2-yl)-1-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyridin-2-ide
• PubChem CID: 158092577
• Molecular Formula: C158H158Ir4N42-24
• Molecular Weight: 3414.16 g/mol
• Exact Mass: 3415.23
• IUPAC Name: 2-[3-[4-[4,5-dimethyl-3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);2-[3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;1-(3H-pyridin-3-id-2-yl)-3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-benzimidazol-2-id-1-yl]butyl]-2H-benzimidazol-2-ide;3-(3H-pyridin-3-id-2-yl)-1-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyridin-2-ide
• SMILES: CC(C)c1cc[c-]c(N2[CH-]N(C)c3nccnc32)c1.CC(C)c1cc[c-]c(N2[CH-]N(C)c3nccnc32)c1.CC(C)c1cc[c-]c(N2[CH-]N(C)c3nccnc32)c1.CC(C)c1cc[c-]c(N2[CH-]N(C)c3nccnc32)c1.CC1=C(C)N(c2[c-]cccn2)[CH-]N1CCCCN1[CH-]N(c2[c-]cccn2)C(C)=C1C.[Ir].[Ir].[Ir].[Ir].[c-]1cccnc1N1C=CN(CCCCN2C=CN(c3[c-]cccn3)[CH-]2)[CH-]1.[c-]1cccnc1N1[CH-]N(CCCCN2[CH-]N(c3[c-]cccn3)c3ccccc32)c2ccccc21.[c-]1cccnc1N1[CH-]N(CCCCN2[CH-]N(c3[c-]cccn3)c3ncccc32)c2cccnc21
• InChI: InChI=1S/C28H24N6.C26H22N8.C24H28N6.C20H20N6.4C15H16N4.4Ir/c1-3-13-25-23(11-1)31(21-33(25)27-15-5-7-17-29-27)19-9-10-20-32-22-34(28-16-6-8-18-30-28)26-14-4-2-12-24(26)32;1-3-13-27-23(11-1)33-19-31(21-9-7-15-29-25(21)33)17-5-6-18-32-20-34(24-12-2-4-14-28-24)26-22(32)10-8-16-30-26;1-19-21(3)29(23-11-5-7-13-25-23)17-27(19)15-9-10-16-28-18-30(22(4)20(28)2)24-12-6-8-14-26-24;1-3-9-21-19(7-1)25-15-13-23(17-25)11-5-6-12-24-14-16-26(18-24)20-8-2-4-10-22-20;4*1-11(2)12-5-4-6-13(9-12)19-10-18(3)14-15(19)17-8-7-16-14;;;;/h1-8,11-14,17-18,21-22H,9-10,19-20H2;1-4,7-10,13-16,19-20H,5-6,17-18H2;5-8,13-14,17-18H,9-10,15-16H2,1-4H3;1-4,9-10,13-18H,5-6,11-12H2;4*4-5,7-11H,1-3H3;;;;/q4*-4;4*-2
• InChIKey: VWZGUVOKHBMDKF-UHFFFAOYSA-N
• XLogP: 30.16
• TPSA: 309.78 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 36
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3414.16
LogP ≤ 5	30.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[4,5-dimethyl-3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);2-[3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;1-(3H-pyridin-3-id-2-yl)-3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-benzimidazol-2-id-1-yl]butyl]-2H-benzimidazol-2-ide;3-(3H-pyridin-3-id-2-yl)-1-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyridin-2-ide?

The IUPAC name of 2-[3-[4-[4,5-dimethyl-3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);2-[3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;1-(3H-pyridin-3-id-2-yl)-3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-benzimidazol-2-id-1-yl]butyl]-2H-benzimidazol-2-ide;3-(3H-pyridin-3-id-2-yl)-1-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyridin-2-ide (CID 158092577) is 2-[3-[4-[4,5-dimethyl-3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);2-[3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;1-(3H-pyridin-3-id-2-yl)-3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-benzimidazol-2-id-1-yl]butyl]-2H-benzimidazol-2-ide;3-(3H-pyridin-3-id-2-yl)-1-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyridin-2-ide.

What is the SMILES notation for 2-[3-[4-[4,5-dimethyl-3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);2-[3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;1-(3H-pyridin-3-id-2-yl)-3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-benzimidazol-2-id-1-yl]butyl]-2H-benzimidazol-2-ide;3-(3H-pyridin-3-id-2-yl)-1-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyridin-2-ide?

The canonical SMILES for 2-[3-[4-[4,5-dimethyl-3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);2-[3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;1-(3H-pyridin-3-id-2-yl)-3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-benzimidazol-2-id-1-yl]butyl]-2H-benzimidazol-2-ide;3-(3H-pyridin-3-id-2-yl)-1-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyridin-2-ide is CC(C)c1cc[c-]c(N2[CH-]N(C)c3nccnc32)c1.CC(C)c1cc[c-]c(N2[CH-]N(C)c3nccnc32)c1.CC(C)c1cc[c-]c(N2[CH-]N(C)c3nccnc32)c1.CC(C)c1cc[c-]c(N2[CH-]N(C)c3nccnc32)c1.CC1=C(C)N(c2[c-]cccn2)[CH-]N1CCCCN1[CH-]N(c2[c-]cccn2)C(C)=C1C.[Ir].[Ir].[Ir].[Ir].[c-]1cccnc1N1C=CN(CCCCN2C=CN(c3[c-]cccn3)[CH-]2)[CH-]1.[c-]1cccnc1N1[CH-]N(CCCCN2[CH-]N(c3[c-]cccn3)c3ccccc32)c2ccccc21.[c-]1cccnc1N1[CH-]N(CCCCN2[CH-]N(c3[c-]cccn3)c3ncccc32)c2cccnc21.

What is the InChIKey of 2-[3-[4-[4,5-dimethyl-3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);2-[3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;1-(3H-pyridin-3-id-2-yl)-3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-benzimidazol-2-id-1-yl]butyl]-2H-benzimidazol-2-ide;3-(3H-pyridin-3-id-2-yl)-1-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyridin-2-ide?

The InChIKey is VWZGUVOKHBMDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6.C26H22N8.C24H28N6.C20H20N6.4C15H16N4.4Ir/c1-3-13-25-23(11-1)31(21-33(25)27-15-5-7-17-29-27)19-9-10-20-32-22-34(28-16-6-8-18-30-28)26-14-4-2-12-24(26)32;1-3-13-27-23(11-1)33-19-31(21-9-7-15-29-25(21)33)17-5-6-18-32-20-34(24-12-2-4-14-28-24)26-22(32)10-8-16-30-26;1-19-21(3)29(23-11-5-7-13-25-23)17-27(19)15-9-10-16-28-18-30(22(4)20(28)2)24-12-6-8-14-26-24;1-3-9-21-19(7-1)25-15-13-23(17-25)11-5-6-12-24-14-16-26(18-24)20-8-2-4-10-22-20;4*1-11(2)12-5-4-6-13(9-12)19-10-18(3)14-15(19)17-8-7-16-14;;;;/h1-8,11-14,17-18,21-22H,9-10,19-20H2;1-4,7-10,13-16,19-20H,5-6,17-18H2;5-8,13-14,17-18H,9-10,15-16H2,1-4H3;1-4,9-10,13-18H,5-6,11-12H2;4*4-5,7-11H,1-3H3;;;;/q4*-4;4*-2;;;;.

What are the key properties of 2-[3-[4-[4,5-dimethyl-3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);2-[3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;1-(3H-pyridin-3-id-2-yl)-3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-benzimidazol-2-id-1-yl]butyl]-2H-benzimidazol-2-ide;3-(3H-pyridin-3-id-2-yl)-1-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyridin-2-ide?

2-[3-[4-[4,5-dimethyl-3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);2-[3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;1-(3H-pyridin-3-id-2-yl)-3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-benzimidazol-2-id-1-yl]butyl]-2H-benzimidazol-2-ide;3-(3H-pyridin-3-id-2-yl)-1-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyridin-2-ide has a molecular weight of 3414.16 g/mol, XLogP of 30.16, 36 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[4,5-dimethyl-3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-4,5-dimethyl-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);2-[3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazol-2-id-1-yl]butyl]-2H-imidazol-2-id-1-yl]-3H-pyridin-3-ide;1-(3H-pyridin-3-id-2-yl)-3-[4-[3-(3H-pyridin-3-id-2-yl)-2H-benzimidazol-2-id-1-yl]butyl]-2H-benzimidazol-2-ide;3-(3H-pyridin-3-id-2-yl)-1-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazo[4,5-b]pyridin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyridin-2-ide is sourced from PubChem (CID 158092577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).