2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluoro-5-methylbenzene-6-id-1-yl]-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-2H-pyridin-2-ide;tetrakis(iridium)

C67H35F26Ir4N4-5 — CID 158358685

About 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluoro-5-methylbenzene-6-id-1-yl]-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-2H-pyridin-2-ide;tetrakis(iridium)

2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluoro-5-methylbenzene-6-id-1-yl]-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-2H-pyridin-2-ide;tetrakis(iridium) (PubChem CID 158358685) has the molecular formula C67H35F26Ir4N4-5 and a molecular weight of 2158.86 g/mol. Its IUPAC name is 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluoro-5-methylbenzene-6-id-1-yl]-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-2H-pyridin-2-ide;tetrakis(iridium).

Molecular Properties

• Compound Name: 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluoro-5-methylbenzene-6-id-1-yl]-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-2H-pyridin-2-ide;tetrakis(iridium)
• PubChem CID: 158358685
• Molecular Formula: C67H35F26Ir4N4-5
• Molecular Weight: 2158.86 g/mol
• Exact Mass: 2161.10
• IUPAC Name: 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluoro-5-methylbenzene-6-id-1-yl]-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-2H-pyridin-2-ide;tetrakis(iridium)
• SMILES: Cc1c[c-]nc(-c2[c-]c(C(F)(F)F)c(F)c(C(F)(F)F)c2F)c1.Cc1ccc(-c2[c-]c(C)c(F)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2F)nc1.Cc1ccc(-c2[c-]cc(F)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2F)nc1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C21H12F8N.C20H10F8N.C14H5F8N.C12H8F2N.4Ir/c1-10-3-4-16(30-9-10)15-5-11(2)18(22)17(19(15)23)12-6-13(20(24,25)26)8-14(7-12)21(27,28)29;1-10-2-5-16(29-9-10)14-3-4-15(21)17(18(14)22)11-6-12(19(23,24)25)8-13(7-11)20(26,27)28;1-6-2-3-23-9(4-6)7-5-8(13(17,18)19)12(16)10(11(7)15)14(20,21)22;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;;;;/h3-4,6-9H,1-2H3;2,4-9H,1H3;2,4H,1H3;2,4-7H,1H3;;;;/q2*-1;-2;-1
• InChIKey: WQNVDNNTAWDGAZ-UHFFFAOYSA-N
• XLogP: 22.09
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2158.86
LogP ≤ 5	22.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluoro-5-methylbenzene-6-id-1-yl]-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-2H-pyridin-2-ide;tetrakis(iridium)?

The IUPAC name of 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluoro-5-methylbenzene-6-id-1-yl]-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-2H-pyridin-2-ide;tetrakis(iridium) (CID 158358685) is 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluoro-5-methylbenzene-6-id-1-yl]-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-2H-pyridin-2-ide;tetrakis(iridium).

What is the SMILES notation for 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluoro-5-methylbenzene-6-id-1-yl]-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-2H-pyridin-2-ide;tetrakis(iridium)?

The canonical SMILES for 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluoro-5-methylbenzene-6-id-1-yl]-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-2H-pyridin-2-ide;tetrakis(iridium) is Cc1c[c-]nc(-c2[c-]c(C(F)(F)F)c(F)c(C(F)(F)F)c2F)c1.Cc1ccc(-c2[c-]c(C)c(F)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2F)nc1.Cc1ccc(-c2[c-]cc(F)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2F)nc1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluoro-5-methylbenzene-6-id-1-yl]-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-2H-pyridin-2-ide;tetrakis(iridium)?

The InChIKey is WQNVDNNTAWDGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F8N.C20H10F8N.C14H5F8N.C12H8F2N.4Ir/c1-10-3-4-16(30-9-10)15-5-11(2)18(22)17(19(15)23)12-6-13(20(24,25)26)8-14(7-12)21(27,28)29;1-10-2-5-16(29-9-10)14-3-4-15(21)17(18(14)22)11-6-12(19(23,24)25)8-13(7-11)20(26,27)28;1-6-2-3-23-9(4-6)7-5-8(13(17,18)19)12(16)10(11(7)15)14(20,21)22;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;;;;/h3-4,6-9H,1-2H3;2,4-9H,1H3;2,4H,1H3;2,4-7H,1H3;;;;/q2*-1;-2;-1;;;;.

What are the key properties of 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluoro-5-methylbenzene-6-id-1-yl]-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-2H-pyridin-2-ide;tetrakis(iridium)?

2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluoro-5-methylbenzene-6-id-1-yl]-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-2H-pyridin-2-ide;tetrakis(iridium) has a molecular weight of 2158.86 g/mol, XLogP of 22.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluoro-5-methylbenzene-6-id-1-yl]-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;6-[2,4-difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methyl-2H-pyridin-2-ide;tetrakis(iridium) is sourced from PubChem (CID 158358685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).