1-[(2,4-difluorobenzene-6-id-1-yl)methyl]-3-methyl-2H-benzimidazol-2-ide;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;2,6-dimethoxy-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methylpyridine-2-carboxylic acid;bis(pyridine-2-carboxylic acid)

C91H68F11Ir5N14O9-4 — CID 160988155

About 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]-3-methyl-2H-benzimidazol-2-ide;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;2,6-dimethoxy-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methylpyridine-2-carboxylic acid;bis(pyridine-2-carboxylic acid)

1-[(2,4-difluorobenzene-6-id-1-yl)methyl]-3-methyl-2H-benzimidazol-2-ide;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;2,6-dimethoxy-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methylpyridine-2-carboxylic acid;bis(pyridine-2-carboxylic acid) (PubChem CID 160988155) has the molecular formula C91H68F11Ir5N14O9-4 and a molecular weight of 2671.70 g/mol. Its IUPAC name is 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]-3-methyl-2H-benzimidazol-2-ide;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;2,6-dimethoxy-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methylpyridine-2-carboxylic acid;bis(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]-3-methyl-2H-benzimidazol-2-ide;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;2,6-dimethoxy-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methylpyridine-2-carboxylic acid;bis(pyridine-2-carboxylic acid)
• PubChem CID: 160988155
• Molecular Formula: C91H68F11Ir5N14O9-4
• Molecular Weight: 2671.70 g/mol
• Exact Mass: 2674.33
• IUPAC Name: 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]-3-methyl-2H-benzimidazol-2-ide;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;2,6-dimethoxy-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methylpyridine-2-carboxylic acid;bis(pyridine-2-carboxylic acid)
• SMILES: CN1[CH-]N(Cc2[c-]cc(F)cc2F)c2ccccc21.COc1c[c-]c(-c2cc(C)ccn2)c(OC)n1.Cc1ccnc(-c2[c-]cc(F)c(C(=O)C(F)(F)F)c2F)c1.Cc1ccnc(C(=O)O)c1.Cc1n[n-]c(-c2ccccn2)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir+3].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C15H12F2N2.C14H7F5NO.C13H13N2O2.2C11H6F2N.C8H7N4.C7H7NO2.2C6H5NO2.5Ir/c1-18-10-19(15-5-3-2-4-14(15)18)9-11-6-7-12(16)8-13(11)17;1-7-4-5-20-10(6-7)8-2-3-9(15)11(12(8)16)13(21)14(17,18)19;1-9-6-7-14-11(8-9)10-4-5-12(16-2)15-13(10)17-3;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-5-2-3-8-6(4-5)7(9)10;2*8-6(9)5-3-1-2-4-7-5;;;;;/h2-5,7-8,10H,9H2,1H3;3-6H,1H3;5-8H,1-3H3;2*1-4,6-7H;2-5H,1H3;2-4H,1H3,(H,9,10);2*1-4H,(H,8,9);;;;;/q-2;5*-1;;;;;;;;+3
• InChIKey: OXUQEYWPXFMUTO-UHFFFAOYSA-N
• XLogP: 18.58
• TPSA: 309.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2671.70
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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-difluorobenzene-6-id-1-yl)methyl]-3-methyl-2H-benzimidazol-2-ide;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;2,6-dimethoxy-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methylpyridine-2-carboxylic acid;bis(pyridine-2-carboxylic acid)?

The IUPAC name of 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]-3-methyl-2H-benzimidazol-2-ide;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;2,6-dimethoxy-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methylpyridine-2-carboxylic acid;bis(pyridine-2-carboxylic acid) (CID 160988155) is 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]-3-methyl-2H-benzimidazol-2-ide;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;2,6-dimethoxy-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methylpyridine-2-carboxylic acid;bis(pyridine-2-carboxylic acid).

What is the SMILES notation for 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]-3-methyl-2H-benzimidazol-2-ide;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;2,6-dimethoxy-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methylpyridine-2-carboxylic acid;bis(pyridine-2-carboxylic acid)?

The canonical SMILES for 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]-3-methyl-2H-benzimidazol-2-ide;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;2,6-dimethoxy-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methylpyridine-2-carboxylic acid;bis(pyridine-2-carboxylic acid) is CN1[CH-]N(Cc2[c-]cc(F)cc2F)c2ccccc21.COc1c[c-]c(-c2cc(C)ccn2)c(OC)n1.Cc1ccnc(-c2[c-]cc(F)c(C(=O)C(F)(F)F)c2F)c1.Cc1ccnc(C(=O)O)c1.Cc1n[n-]c(-c2ccccn2)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir+3].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]-3-methyl-2H-benzimidazol-2-ide;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;2,6-dimethoxy-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methylpyridine-2-carboxylic acid;bis(pyridine-2-carboxylic acid)?

The InChIKey is OXUQEYWPXFMUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2.C14H7F5NO.C13H13N2O2.2C11H6F2N.C8H7N4.C7H7NO2.2C6H5NO2.5Ir/c1-18-10-19(15-5-3-2-4-14(15)18)9-11-6-7-12(16)8-13(11)17;1-7-4-5-20-10(6-7)8-2-3-9(15)11(12(8)16)13(21)14(17,18)19;1-9-6-7-14-11(8-9)10-4-5-12(16-2)15-13(10)17-3;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-5-2-3-8-6(4-5)7(9)10;2*8-6(9)5-3-1-2-4-7-5;;;;;/h2-5,7-8,10H,9H2,1H3;3-6H,1H3;5-8H,1-3H3;2*1-4,6-7H;2-5H,1H3;2-4H,1H3,(H,9,10);2*1-4H,(H,8,9);;;;;/q-2;5*-1;;;;;;;;+3.

What are the key properties of 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]-3-methyl-2H-benzimidazol-2-ide;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;2,6-dimethoxy-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methylpyridine-2-carboxylic acid;bis(pyridine-2-carboxylic acid)?

1-[(2,4-difluorobenzene-6-id-1-yl)methyl]-3-methyl-2H-benzimidazol-2-ide;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;2,6-dimethoxy-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methylpyridine-2-carboxylic acid;bis(pyridine-2-carboxylic acid) has a molecular weight of 2671.70 g/mol, XLogP of 18.58, 13 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]-3-methyl-2H-benzimidazol-2-ide;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;2,6-dimethoxy-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methylpyridine-2-carboxylic acid;bis(pyridine-2-carboxylic acid) is sourced from PubChem (CID 160988155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).