2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline

C74H50F14Ir5N5O-5 — CID 158198908

About 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline

2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline (PubChem CID 158198908) has the molecular formula C74H50F14Ir5N5O-5 and a molecular weight of 2252.30 g/mol. Its IUPAC name is 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline.

Molecular Properties

• Compound Name: 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline
• PubChem CID: 158198908
• Molecular Formula: C74H50F14Ir5N5O-5
• Molecular Weight: 2252.30 g/mol
• Exact Mass: 2255.20
• IUPAC Name: 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline
• SMILES: COc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2)c1C.Cc1cc(F)c[c-]c1-c1ncccc1C.Cc1cccnc1-c1[c-]cc(F)c(C(F)(F)F)c1.Cc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccc2ccccc2n1
• InChI: InChI=1S/C21H14N.C14H10F4NO.C13H7F5N.C13H8F4N.C13H11FN.5Ir/c1-2-6-16(7-3-1)17-10-12-19(13-11-17)21-15-14-18-8-4-5-9-20(18)22-21;1-8-12(20-2)5-6-19-13(8)9-3-4-11(15)10(7-9)14(16,17)18;1-7-4-5-19-10(6-7)8-2-3-9(14)11(12(8)15)13(16,17)18;1-8-3-2-6-18-12(8)9-4-5-11(14)10(7-9)13(15,16)17;1-9-4-3-7-15-13(9)12-6-5-11(14)8-10(12)2;;;;;/h1-12,14-15H;4-7H,1-2H3;3-6H,1H3;2-3,5-7H,1H3;3-5,7-8H,1-2H3;;;;;/q5*-1
• InChIKey: SJTPIDFIZREOGC-UHFFFAOYSA-N
• XLogP: 20.85
• TPSA: 73.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2252.30
LogP ≤ 5	20.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline?

The IUPAC name of 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline (CID 158198908) is 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline.

What is the SMILES notation for 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline?

The canonical SMILES for 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline is COc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2)c1C.Cc1cc(F)c[c-]c1-c1ncccc1C.Cc1cccnc1-c1[c-]cc(F)c(C(F)(F)F)c1.Cc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccc2ccccc2n1.

What is the InChIKey of 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline?

The InChIKey is SJTPIDFIZREOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N.C14H10F4NO.C13H7F5N.C13H8F4N.C13H11FN.5Ir/c1-2-6-16(7-3-1)17-10-12-19(13-11-17)21-15-14-18-8-4-5-9-20(18)22-21;1-8-12(20-2)5-6-19-13(8)9-3-4-11(15)10(7-9)14(16,17)18;1-7-4-5-19-10(6-7)8-2-3-9(14)11(12(8)15)13(16,17)18;1-8-3-2-6-18-12(8)9-4-5-11(14)10(7-9)13(15,16)17;1-9-4-3-7-15-13(9)12-6-5-11(14)8-10(12)2;;;;;/h1-12,14-15H;4-7H,1-2H3;3-6H,1H3;2-3,5-7H,1H3;3-5,7-8H,1-2H3;;;;;/q5*-1;;;;;.

What are the key properties of 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline?

2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline has a molecular weight of 2252.30 g/mol, XLogP of 20.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline is sourced from PubChem (CID 158198908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).