2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;(2,4-difluoro-3-methylphenyl)-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine)

C110H72F15Ir4N9O3-8 — CID 162217676

About 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;(2,4-difluoro-3-methylphenyl)-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine)

2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;(2,4-difluoro-3-methylphenyl)-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine) (PubChem CID 162217676) has the molecular formula C110H72F15Ir4N9O3-8 and a molecular weight of 2621.68 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;(2,4-difluoro-3-methylphenyl)-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;(2,4-difluoro-3-methylphenyl)-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine)
• PubChem CID: 162217676
• Molecular Formula: C110H72F15Ir4N9O3-8
• Molecular Weight: 2621.68 g/mol
• Exact Mass: 2623.41
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;(2,4-difluoro-3-methylphenyl)-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine)
• SMILES: CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)c(C(=O)C(F)(F)F)c2F)c1.Cc1ccnc(-c2[c-]cc(F)c(C(=O)c3ccc(F)c(C)c3F)c2F)c1.Cc1ccnc(-c2[c-]cc(F)c(C(=O)c3ccc(F)cc3F)c2F)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C20H12F4NO.C19H10F4NO.C14H7F5NO.C13H11F2N2.4C11H8N.4Ir/c1-10-7-8-25-16(9-10)12-3-6-15(22)17(19(12)24)20(26)13-4-5-14(21)11(2)18(13)23;1-10-6-7-24-16(8-10)13-4-5-14(21)17(18(13)23)19(25)12-3-2-11(20)9-15(12)22;1-7-4-5-20-10(6-7)8-2-3-9(15)11(12(8)16)13(21)14(17,18)19;1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4-9H,1-2H3;2-3,5-9H,1H3;3-6H,1H3;3,5-8H,1-2H3;4*1-6,8-9H;;;;/q8*-1
• InChIKey: FRBSHUYDBXFXCO-UHFFFAOYSA-N
• XLogP: 26.56
• TPSA: 157.57 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2621.68
LogP ≤ 5	26.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;(2,4-difluoro-3-methylphenyl)-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine)?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;(2,4-difluoro-3-methylphenyl)-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine) (CID 162217676) is 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;(2,4-difluoro-3-methylphenyl)-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine).

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;(2,4-difluoro-3-methylphenyl)-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine)?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;(2,4-difluoro-3-methylphenyl)-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine) is CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)c(C(=O)C(F)(F)F)c2F)c1.Cc1ccnc(-c2[c-]cc(F)c(C(=O)c3ccc(F)c(C)c3F)c2F)c1.Cc1ccnc(-c2[c-]cc(F)c(C(=O)c3ccc(F)cc3F)c2F)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;(2,4-difluoro-3-methylphenyl)-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine)?

The InChIKey is FRBSHUYDBXFXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4NO.C19H10F4NO.C14H7F5NO.C13H11F2N2.4C11H8N.4Ir/c1-10-7-8-25-16(9-10)12-3-6-15(22)17(19(12)24)20(26)13-4-5-14(21)11(2)18(13)23;1-10-6-7-24-16(8-10)13-4-5-14(21)17(18(13)23)19(25)12-3-2-11(20)9-15(12)22;1-7-4-5-20-10(6-7)8-2-3-9(15)11(12(8)16)13(21)14(17,18)19;1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4-9H,1-2H3;2-3,5-9H,1H3;3-6H,1H3;3,5-8H,1-2H3;4*1-6,8-9H;;;;/q8*-1;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;(2,4-difluoro-3-methylphenyl)-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine)?

2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;(2,4-difluoro-3-methylphenyl)-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine) has a molecular weight of 2621.68 g/mol, XLogP of 26.56, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;(2,4-difluoro-3-methylphenyl)-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine) is sourced from PubChem (CID 162217676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).