2-[3-(3,4-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-[3-(2-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(4-fluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);methane

C93H71F7Ir3N5- — CID 161046385

About 2-[3-(3,4-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-[3-(2-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(4-fluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);methane

2-[3-(3,4-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-[3-(2-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(4-fluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);methane (PubChem CID 161046385) has the molecular formula C93H71F7Ir3N5- and a molecular weight of 1968.26 g/mol. Its IUPAC name is 2-[3-(3,4-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-[3-(2-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(4-fluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);methane.

Molecular Properties

• Compound Name: 2-[3-(3,4-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-[3-(2-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(4-fluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);methane
• PubChem CID: 161046385
• Molecular Formula: C93H71F7Ir3N5-
• Molecular Weight: 1968.26 g/mol
• Exact Mass: 1969.45
• IUPAC Name: 2-[3-(3,4-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-[3-(2-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(4-fluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);methane
• SMILES: C.Cc1ccc(-c2[c-]ccc(-c3ccc(F)c(F)c3)c2)nc1.Cc1ccc(-c2[c-]ccc(-c3cccc(F)c3)c2)nc1.Cc1ccc(-c2[c-]ccc(-c3ccccc3F)c2)nc1.Cc1ccc2[n+](c1)Cc1ccc(-c3cc(F)ccc3F)cc1-2.Cc1ccc2[n+](c1)Cc1ccc(-c3ccc(F)cc3)cc1-2.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C19H14F2N.C19H15FN.C18H12F2N.2C18H13FN.CH4.3Ir/c1-12-2-7-19-17-8-13(3-4-14(17)11-22(19)10-12)16-9-15(20)5-6-18(16)21;1-13-2-9-19-18-10-15(14-5-7-17(20)8-6-14)3-4-16(18)12-21(19)11-13;1-12-5-8-18(21-11-12)15-4-2-3-13(9-15)14-6-7-16(19)17(20)10-14;1-13-8-9-18(20-12-13)16-6-2-4-14(10-16)15-5-3-7-17(19)11-15;1-13-9-10-18(20-12-13)15-6-4-5-14(11-15)16-7-2-3-8-17(16)19;;;;/h2-10H,11H2,1H3;2-11H,12H2,1H3;2-3,5-11H,1H3;2*2-5,7-12H,1H3;1H4;;;/q2*+1;3*-1
• InChIKey: CZRWFCNGANAQSN-UHFFFAOYSA-N
• XLogP: 23.13
• TPSA: 46.43 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1968.26
LogP ≤ 5	23.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-[3-(2-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(4-fluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);methane?

The IUPAC name of 2-[3-(3,4-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-[3-(2-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(4-fluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);methane (CID 161046385) is 2-[3-(3,4-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-[3-(2-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(4-fluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);methane.

What is the SMILES notation for 2-[3-(3,4-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-[3-(2-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(4-fluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);methane?

The canonical SMILES for 2-[3-(3,4-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-[3-(2-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(4-fluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);methane is C.Cc1ccc(-c2[c-]ccc(-c3ccc(F)c(F)c3)c2)nc1.Cc1ccc(-c2[c-]ccc(-c3cccc(F)c3)c2)nc1.Cc1ccc(-c2[c-]ccc(-c3ccccc3F)c2)nc1.Cc1ccc2[n+](c1)Cc1ccc(-c3cc(F)ccc3F)cc1-2.Cc1ccc2[n+](c1)Cc1ccc(-c3ccc(F)cc3)cc1-2.[Ir].[Ir].[Ir].

What is the InChIKey of 2-[3-(3,4-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-[3-(2-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(4-fluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);methane?

The InChIKey is CZRWFCNGANAQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N.C19H15FN.C18H12F2N.2C18H13FN.CH4.3Ir/c1-12-2-7-19-17-8-13(3-4-14(17)11-22(19)10-12)16-9-15(20)5-6-18(16)21;1-13-2-9-19-18-10-15(14-5-7-17(20)8-6-14)3-4-16(18)12-21(19)11-13;1-12-5-8-18(21-11-12)15-4-2-3-13(9-15)14-6-7-16(19)17(20)10-14;1-13-8-9-18(20-12-13)16-6-2-4-14(10-16)15-5-3-7-17(19)11-15;1-13-9-10-18(20-12-13)15-6-4-5-14(11-15)16-7-2-3-8-17(16)19;;;;/h2-10H,11H2,1H3;2-11H,12H2,1H3;2-3,5-11H,1H3;2*2-5,7-12H,1H3;1H4;;;/q2*+1;3*-1;;;;.

What are the key properties of 2-[3-(3,4-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-[3-(2-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(4-fluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);methane?

2-[3-(3,4-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-[3-(2-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(4-fluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);methane has a molecular weight of 1968.26 g/mol, XLogP of 23.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,4-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(2,5-difluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;2-[3-(2-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-fluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;9-(4-fluorophenyl)-3-methyl-6H-pyrido[2,1-a]isoindol-5-ium;tris(iridium);methane is sourced from PubChem (CID 161046385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).