bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);tris(4-hydroxy-3-phenylpent-3-en-2-one);bis(4-hydroxy-3-pyridin-4-ylpent-3-en-2-one);undecakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;octakis(1-methyl-2-phenylimidazole);4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;bis(1-phenyl-1,2,4-triazole);4-pyrazol-1-yl-3H-pyridin-3-ide

C216H198F4Ir11N41O12-17 — CID 159036278

About bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);tris(4-hydroxy-3-phenylpent-3-en-2-one);bis(4-hydroxy-3-pyridin-4-ylpent-3-en-2-one);undecakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;octakis(1-methyl-2-phenylimidazole);4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;bis(1-phenyl-1,2,4-triazole);4-pyrazol-1-yl-3H-pyridin-3-ide

bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);tris(4-hydroxy-3-phenylpent-3-en-2-one);bis(4-hydroxy-3-pyridin-4-ylpent-3-en-2-one);undecakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;octakis(1-methyl-2-phenylimidazole);4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;bis(1-phenyl-1,2,4-triazole);4-pyrazol-1-yl-3H-pyridin-3-ide (PubChem CID 159036278) has the molecular formula C216H198F4Ir11N41O12-17 and a molecular weight of 5750.61 g/mol. Its IUPAC name is bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);tris(4-hydroxy-3-phenylpent-3-en-2-one);bis(4-hydroxy-3-pyridin-4-ylpent-3-en-2-one);undecakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;octakis(1-methyl-2-phenylimidazole);4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;bis(1-phenyl-1,2,4-triazole);4-pyrazol-1-yl-3H-pyridin-3-ide.

Molecular Properties

• Compound Name: bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);tris(4-hydroxy-3-phenylpent-3-en-2-one);bis(4-hydroxy-3-pyridin-4-ylpent-3-en-2-one);undecakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;octakis(1-methyl-2-phenylimidazole);4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;bis(1-phenyl-1,2,4-triazole);4-pyrazol-1-yl-3H-pyridin-3-ide
• PubChem CID: 159036278
• Molecular Formula: C216H198F4Ir11N41O12-17
• Molecular Weight: 5750.61 g/mol
• Exact Mass: 5756.21
• IUPAC Name: bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);tris(4-hydroxy-3-phenylpent-3-en-2-one);bis(4-hydroxy-3-pyridin-4-ylpent-3-en-2-one);undecakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;octakis(1-methyl-2-phenylimidazole);4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;bis(1-phenyl-1,2,4-triazole);4-pyrazol-1-yl-3H-pyridin-3-ide
• SMILES: CC(=O)C(=C(C)O)c1ccccc1.CC(=O)C(=C(C)O)c1ccccc1.CC(=O)C(=C(C)O)c1ccccc1.CC(=O)C(=C(C)O)c1ccncc1.CC(=O)C(=C(C)O)c1ccncc1.COc1c[c-]c(-c2nccn2C)c(CO)c1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cncc1.Cn1cnnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cncn1.[c-]1ccccc1-n1cncn1.[c-]1cnccc1-n1cccn1
• InChI: InChI=1S/C12H13N2O2.3C11H12O2.2C10H7F2N2.8C10H9N2.2C10H11NO2.2C9H8N3.C9H7N2.3C8H6N3.11Ir/c1-14-6-5-13-12(14)11-4-3-10(16-2)7-9(11)8-15;3*1-8(12)11(9(2)13)10-6-4-3-5-7-10;2*1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;8*1-12-8-7-11-10(12)9-5-3-2-4-6-9;2*1-7(12)10(8(2)13)9-3-5-11-6-4-9;1-12-7-6-11-9(12)8-2-4-10-5-3-8;1-12-7-10-11-9(12)8-5-3-2-4-6-8;1-2-5-9(6-3-1)11-8-4-7-10-11;1-4-10-11(7-1)8-2-5-9-6-3-8;2*1-2-4-8(5-3-1)11-7-9-6-10-11;;;;;;;;;;;/h3,5-7,15H,8H2,1-2H3;3*3-7,12H,1-2H3;2*2,4-6H,1H3;8*2-5,7-8H,1H3;2*3-6,12H,1-2H3;2,4-7H,1H3;2-5,7H,1H3;1-5,7-8H;1-2,4-7H;2*1-4,6-7H;;;;;;;;;;;/q-1;;;;10*-1;;;6*-1
• InChIKey: ZPYODEHSPYZUNK-UHFFFAOYSA-N
• XLogP: 39.84
• TPSA: 609.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 53
• Rotatable Bonds: 29
• Heavy Atoms: 284
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5750.61
LogP ≤ 5	39.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);tris(4-hydroxy-3-phenylpent-3-en-2-one);bis(4-hydroxy-3-pyridin-4-ylpent-3-en-2-one);undecakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;octakis(1-methyl-2-phenylimidazole);4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;bis(1-phenyl-1,2,4-triazole);4-pyrazol-1-yl-3H-pyridin-3-ide?

The IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);tris(4-hydroxy-3-phenylpent-3-en-2-one);bis(4-hydroxy-3-pyridin-4-ylpent-3-en-2-one);undecakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;octakis(1-methyl-2-phenylimidazole);4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;bis(1-phenyl-1,2,4-triazole);4-pyrazol-1-yl-3H-pyridin-3-ide (CID 159036278) is bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);tris(4-hydroxy-3-phenylpent-3-en-2-one);bis(4-hydroxy-3-pyridin-4-ylpent-3-en-2-one);undecakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;octakis(1-methyl-2-phenylimidazole);4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;bis(1-phenyl-1,2,4-triazole);4-pyrazol-1-yl-3H-pyridin-3-ide.

What is the SMILES notation for bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);tris(4-hydroxy-3-phenylpent-3-en-2-one);bis(4-hydroxy-3-pyridin-4-ylpent-3-en-2-one);undecakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;octakis(1-methyl-2-phenylimidazole);4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;bis(1-phenyl-1,2,4-triazole);4-pyrazol-1-yl-3H-pyridin-3-ide?

The canonical SMILES for bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);tris(4-hydroxy-3-phenylpent-3-en-2-one);bis(4-hydroxy-3-pyridin-4-ylpent-3-en-2-one);undecakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;octakis(1-methyl-2-phenylimidazole);4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;bis(1-phenyl-1,2,4-triazole);4-pyrazol-1-yl-3H-pyridin-3-ide is CC(=O)C(=C(C)O)c1ccccc1.CC(=O)C(=C(C)O)c1ccccc1.CC(=O)C(=C(C)O)c1ccccc1.CC(=O)C(=C(C)O)c1ccncc1.CC(=O)C(=C(C)O)c1ccncc1.COc1c[c-]c(-c2nccn2C)c(CO)c1.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cc(F)cc1F.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cncc1.Cn1cnnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cncn1.[c-]1ccccc1-n1cncn1.[c-]1cnccc1-n1cccn1.

What is the InChIKey of bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);tris(4-hydroxy-3-phenylpent-3-en-2-one);bis(4-hydroxy-3-pyridin-4-ylpent-3-en-2-one);undecakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;octakis(1-methyl-2-phenylimidazole);4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;bis(1-phenyl-1,2,4-triazole);4-pyrazol-1-yl-3H-pyridin-3-ide?

The InChIKey is ZPYODEHSPYZUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2O2.3C11H12O2.2C10H7F2N2.8C10H9N2.2C10H11NO2.2C9H8N3.C9H7N2.3C8H6N3.11Ir/c1-14-6-5-13-12(14)11-4-3-10(16-2)7-9(11)8-15;3*1-8(12)11(9(2)13)10-6-4-3-5-7-10;2*1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12;8*1-12-8-7-11-10(12)9-5-3-2-4-6-9;2*1-7(12)10(8(2)13)9-3-5-11-6-4-9;1-12-7-6-11-9(12)8-2-4-10-5-3-8;1-12-7-10-11-9(12)8-5-3-2-4-6-8;1-2-5-9(6-3-1)11-8-4-7-10-11;1-4-10-11(7-1)8-2-5-9-6-3-8;2*1-2-4-8(5-3-1)11-7-9-6-10-11;;;;;;;;;;;/h3,5-7,15H,8H2,1-2H3;3*3-7,12H,1-2H3;2*2,4-6H,1H3;8*2-5,7-8H,1H3;2*3-6,12H,1-2H3;2,4-7H,1H3;2-5,7H,1H3;1-5,7-8H;1-2,4-7H;2*1-4,6-7H;;;;;;;;;;;/q-1;;;;10*-1;;;6*-1;;;;;;;;;;;.

What are the key properties of bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);tris(4-hydroxy-3-phenylpent-3-en-2-one);bis(4-hydroxy-3-pyridin-4-ylpent-3-en-2-one);undecakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;octakis(1-methyl-2-phenylimidazole);4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;bis(1-phenyl-1,2,4-triazole);4-pyrazol-1-yl-3H-pyridin-3-ide?

bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);tris(4-hydroxy-3-phenylpent-3-en-2-one);bis(4-hydroxy-3-pyridin-4-ylpent-3-en-2-one);undecakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;octakis(1-methyl-2-phenylimidazole);4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;bis(1-phenyl-1,2,4-triazole);4-pyrazol-1-yl-3H-pyridin-3-ide has a molecular weight of 5750.61 g/mol, XLogP of 39.84, 29 rotatable bonds, 6 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole);tris(4-hydroxy-3-phenylpent-3-en-2-one);bis(4-hydroxy-3-pyridin-4-ylpent-3-en-2-one);undecakis(iridium);[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;octakis(1-methyl-2-phenylimidazole);4-methyl-3-phenyl-1,2,4-triazole;1-phenylpyrazole;bis(1-phenyl-1,2,4-triazole);4-pyrazol-1-yl-3H-pyridin-3-ide is sourced from PubChem (CID 159036278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).