1-[2,4-difluoro-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide;1,3-di(phenyl)-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));1-methyl-3-[2-(3-methyl-2H-imidazol-2-id-1-yl)phenyl]-2H-imidazol-2-ide;1-methyl-3-(3-phenylbenzene-2-id-1-yl)-2H-imidazol-2-ide;1-methyl-3-(phosphinin-1-ium-2-yl)-2H-imidazol-2-ide;bis(2-phenylpyridine);pyridine-2,6-dicarboxylic acid;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)

C129H107F2Ir5N21O4P-9 — CID 158416596

About 1-[2,4-difluoro-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide;1,3-di(phenyl)-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));1-methyl-3-[2-(3-methyl-2H-imidazol-2-id-1-yl)phenyl]-2H-imidazol-2-ide;1-methyl-3-(3-phenylbenzene-2-id-1-yl)-2H-imidazol-2-ide;1-methyl-3-(phosphinin-1-ium-2-yl)-2H-imidazol-2-ide;bis(2-phenylpyridine);pyridine-2,6-dicarboxylic acid;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)

1-[2,4-difluoro-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide;1,3-di(phenyl)-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));1-methyl-3-[2-(3-methyl-2H-imidazol-2-id-1-yl)phenyl]-2H-imidazol-2-ide;1-methyl-3-(3-phenylbenzene-2-id-1-yl)-2H-imidazol-2-ide;1-methyl-3-(phosphinin-1-ium-2-yl)-2H-imidazol-2-ide;bis(2-phenylpyridine);pyridine-2,6-dicarboxylic acid;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) (PubChem CID 158416596) has the molecular formula C129H107F2Ir5N21O4P-9 and a molecular weight of 3045.47 g/mol. Its IUPAC name is 1-[2,4-difluoro-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide;1,3-di(phenyl)-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));1-methyl-3-[2-(3-methyl-2H-imidazol-2-id-1-yl)phenyl]-2H-imidazol-2-ide;1-methyl-3-(3-phenylbenzene-2-id-1-yl)-2H-imidazol-2-ide;1-methyl-3-(phosphinin-1-ium-2-yl)-2H-imidazol-2-ide;bis(2-phenylpyridine);pyridine-2,6-dicarboxylic acid;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine).

Molecular Properties

• Compound Name: 1-[2,4-difluoro-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide;1,3-di(phenyl)-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));1-methyl-3-[2-(3-methyl-2H-imidazol-2-id-1-yl)phenyl]-2H-imidazol-2-ide;1-methyl-3-(3-phenylbenzene-2-id-1-yl)-2H-imidazol-2-ide;1-methyl-3-(phosphinin-1-ium-2-yl)-2H-imidazol-2-ide;bis(2-phenylpyridine);pyridine-2,6-dicarboxylic acid;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)
• PubChem CID: 158416596
• Molecular Formula: C129H107F2Ir5N21O4P-9
• Molecular Weight: 3045.47 g/mol
• Exact Mass: 3047.67
• IUPAC Name: 1-[2,4-difluoro-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide;1,3-di(phenyl)-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));1-methyl-3-[2-(3-methyl-2H-imidazol-2-id-1-yl)phenyl]-2H-imidazol-2-ide;1-methyl-3-(3-phenylbenzene-2-id-1-yl)-2H-imidazol-2-ide;1-methyl-3-(phosphinin-1-ium-2-yl)-2H-imidazol-2-ide;bis(2-phenylpyridine);pyridine-2,6-dicarboxylic acid;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)
• SMILES: CN1C=CN(c2[c-]c(-c3[c-]cccc3)ccc2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)c(F)cc2F)[CH-]1.CN1C=CN(c2cccc[pH+]2)[CH-]1.CN1C=CN(c2ccccc2N2C=CN(C)[CH-]2)[CH-]1.O=C(O)c1cccc(C(=O)O)n1.[Ir+3].[Ir+3].[Ir].[Ir].[Ir].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1C=CN(c2[c-]cccc2)[CH-]1
• InChI: InChI=1S/C16H13N2.2C16H11N2.C15H11N2.C14H13F2N4.C14H16N4.2C11H8N.C9H10N2P.C7H5NO4.5Ir/c1-17-10-11-18(13-17)16-9-5-8-15(12-16)14-6-3-2-4-7-14;2*1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-17-3-5-19(9-17)13-8-14(12(16)7-11(13)15)20-6-4-18(2)10-20;1-15-7-9-17(11-15)13-5-3-4-6-14(13)18-10-8-16(2)12-18;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10-5-6-11(8-10)9-4-2-3-7-12-9;9-6(10)4-2-1-3-5(8-4)7(11)12;;;;;/h2-6,8-11,13H,1H3;2*1-11H;1-7,9,11-13H;3-7,9-10H,1-2H3;3-12H,1-2H3;2*1-6,8-9H;2-8H,1H3;1-3H,(H,9,10)(H,11,12);;;;;/q-3;2*-1;2*-3;-2;3*-1;;;;;2*+3/p+1
• InChIKey: JMNQCRDELPBPNE-UHFFFAOYSA-O
• XLogP: 26.45
• TPSA: 210.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3045.47
LogP ≤ 5	26.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-difluoro-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide;1,3-di(phenyl)-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));1-methyl-3-[2-(3-methyl-2H-imidazol-2-id-1-yl)phenyl]-2H-imidazol-2-ide;1-methyl-3-(3-phenylbenzene-2-id-1-yl)-2H-imidazol-2-ide;1-methyl-3-(phosphinin-1-ium-2-yl)-2H-imidazol-2-ide;bis(2-phenylpyridine);pyridine-2,6-dicarboxylic acid;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?

The IUPAC name of 1-[2,4-difluoro-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide;1,3-di(phenyl)-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));1-methyl-3-[2-(3-methyl-2H-imidazol-2-id-1-yl)phenyl]-2H-imidazol-2-ide;1-methyl-3-(3-phenylbenzene-2-id-1-yl)-2H-imidazol-2-ide;1-methyl-3-(phosphinin-1-ium-2-yl)-2H-imidazol-2-ide;bis(2-phenylpyridine);pyridine-2,6-dicarboxylic acid;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) (CID 158416596) is 1-[2,4-difluoro-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide;1,3-di(phenyl)-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));1-methyl-3-[2-(3-methyl-2H-imidazol-2-id-1-yl)phenyl]-2H-imidazol-2-ide;1-methyl-3-(3-phenylbenzene-2-id-1-yl)-2H-imidazol-2-ide;1-methyl-3-(phosphinin-1-ium-2-yl)-2H-imidazol-2-ide;bis(2-phenylpyridine);pyridine-2,6-dicarboxylic acid;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine).

What is the SMILES notation for 1-[2,4-difluoro-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide;1,3-di(phenyl)-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));1-methyl-3-[2-(3-methyl-2H-imidazol-2-id-1-yl)phenyl]-2H-imidazol-2-ide;1-methyl-3-(3-phenylbenzene-2-id-1-yl)-2H-imidazol-2-ide;1-methyl-3-(phosphinin-1-ium-2-yl)-2H-imidazol-2-ide;bis(2-phenylpyridine);pyridine-2,6-dicarboxylic acid;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?

The canonical SMILES for 1-[2,4-difluoro-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide;1,3-di(phenyl)-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));1-methyl-3-[2-(3-methyl-2H-imidazol-2-id-1-yl)phenyl]-2H-imidazol-2-ide;1-methyl-3-(3-phenylbenzene-2-id-1-yl)-2H-imidazol-2-ide;1-methyl-3-(phosphinin-1-ium-2-yl)-2H-imidazol-2-ide;bis(2-phenylpyridine);pyridine-2,6-dicarboxylic acid;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) is CN1C=CN(c2[c-]c(-c3[c-]cccc3)ccc2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)c(F)cc2F)[CH-]1.CN1C=CN(c2cccc[pH+]2)[CH-]1.CN1C=CN(c2ccccc2N2C=CN(C)[CH-]2)[CH-]1.O=C(O)c1cccc(C(=O)O)n1.[Ir+3].[Ir+3].[Ir].[Ir].[Ir].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1C=CN(c2[c-]cccc2)[CH-]1.

What is the InChIKey of 1-[2,4-difluoro-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide;1,3-di(phenyl)-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));1-methyl-3-[2-(3-methyl-2H-imidazol-2-id-1-yl)phenyl]-2H-imidazol-2-ide;1-methyl-3-(3-phenylbenzene-2-id-1-yl)-2H-imidazol-2-ide;1-methyl-3-(phosphinin-1-ium-2-yl)-2H-imidazol-2-ide;bis(2-phenylpyridine);pyridine-2,6-dicarboxylic acid;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?

The InChIKey is JMNQCRDELPBPNE-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13N2.2C16H11N2.C15H11N2.C14H13F2N4.C14H16N4.2C11H8N.C9H10N2P.C7H5NO4.5Ir/c1-17-10-11-18(13-17)16-9-5-8-15(12-16)14-6-3-2-4-7-14;2*1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-17-3-5-19(9-17)13-8-14(12(16)7-11(13)15)20-6-4-18(2)10-20;1-15-7-9-17(11-15)13-5-3-4-6-14(13)18-10-8-16(2)12-18;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10-5-6-11(8-10)9-4-2-3-7-12-9;9-6(10)4-2-1-3-5(8-4)7(11)12;;;;;/h2-6,8-11,13H,1H3;2*1-11H;1-7,9,11-13H;3-7,9-10H,1-2H3;3-12H,1-2H3;2*1-6,8-9H;2-8H,1H3;1-3H,(H,9,10)(H,11,12);;;;;/q-3;2*-1;2*-3;-2;3*-1;;;;;2*+3/p+1.

What are the key properties of 1-[2,4-difluoro-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide;1,3-di(phenyl)-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));1-methyl-3-[2-(3-methyl-2H-imidazol-2-id-1-yl)phenyl]-2H-imidazol-2-ide;1-methyl-3-(3-phenylbenzene-2-id-1-yl)-2H-imidazol-2-ide;1-methyl-3-(phosphinin-1-ium-2-yl)-2H-imidazol-2-ide;bis(2-phenylpyridine);pyridine-2,6-dicarboxylic acid;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?

1-[2,4-difluoro-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide;1,3-di(phenyl)-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));1-methyl-3-[2-(3-methyl-2H-imidazol-2-id-1-yl)phenyl]-2H-imidazol-2-ide;1-methyl-3-(3-phenylbenzene-2-id-1-yl)-2H-imidazol-2-ide;1-methyl-3-(phosphinin-1-ium-2-yl)-2H-imidazol-2-ide;bis(2-phenylpyridine);pyridine-2,6-dicarboxylic acid;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) has a molecular weight of 3045.47 g/mol, XLogP of 26.45, 17 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,4-difluoro-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-3-methyl-2H-imidazol-2-ide;1,3-di(phenyl)-2H-imidazol-2-ide;tris(iridium);bis(iridium(3+));1-methyl-3-[2-(3-methyl-2H-imidazol-2-id-1-yl)phenyl]-2H-imidazol-2-ide;1-methyl-3-(3-phenylbenzene-2-id-1-yl)-2H-imidazol-2-ide;1-methyl-3-(phosphinin-1-ium-2-yl)-2H-imidazol-2-ide;bis(2-phenylpyridine);pyridine-2,6-dicarboxylic acid;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) is sourced from PubChem (CID 158416596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).