3,5-dimethyl-2-[3-pentyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,3-dimethyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-(4-propylbenzene-6-id-1-yl)pyridine;2-(4-propylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C81H80F12Ir5N5-5 — CID 159757297

About 3,5-dimethyl-2-[3-pentyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,3-dimethyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-(4-propylbenzene-6-id-1-yl)pyridine;2-(4-propylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

3,5-dimethyl-2-[3-pentyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,3-dimethyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-(4-propylbenzene-6-id-1-yl)pyridine;2-(4-propylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 159757297) has the molecular formula C81H80F12Ir5N5-5 and a molecular weight of 2312.63 g/mol. Its IUPAC name is 3,5-dimethyl-2-[3-pentyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,3-dimethyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-(4-propylbenzene-6-id-1-yl)pyridine;2-(4-propylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 3,5-dimethyl-2-[3-pentyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,3-dimethyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-(4-propylbenzene-6-id-1-yl)pyridine;2-(4-propylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• PubChem CID: 159757297
• Molecular Formula: C81H80F12Ir5N5-5
• Molecular Weight: 2312.63 g/mol
• Exact Mass: 2315.44
• IUPAC Name: 3,5-dimethyl-2-[3-pentyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,3-dimethyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-(4-propylbenzene-6-id-1-yl)pyridine;2-(4-propylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• SMILES: CCCCCc1cc(-c2ncc(C)cc2C)[c-]cc1C(F)(F)F.CCCc1c[c-]c(-c2cc(C)ccn2)cc1.CCCc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.CCCc1cc(-c2ccc(C)c(C)n2)[c-]cc1C(F)(F)F.CCCc1cc(-c2ccccn2)[c-]cc1C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C19H21F3N.C17H17F3N.2C15H13F3N.C15H16N.5Ir/c1-4-5-6-7-15-11-16(8-9-17(15)19(20,21)22)18-14(3)10-13(2)12-23-18;1-4-5-13-10-14(7-8-15(13)17(18,19)20)16-9-6-11(2)12(3)21-16;1-2-5-11-10-12(14-6-3-4-9-19-14)7-8-13(11)15(16,17)18;1-2-3-11-4-6-12(7-5-11)14-9-8-13(10-19-14)15(16,17)18;1-3-4-13-5-7-14(8-6-13)15-11-12(2)9-10-16-15;;;;;/h9-12H,4-7H2,1-3H3;6,8-10H,4-5H2,1-3H3;3-4,6,8-10H,2,5H2,1H3;4-6,8-10H,2-3H2,1H3;5-7,9-11H,3-4H2,1-2H3;;;;;/q5*-1
• InChIKey: WOCGIOGVWJCCSN-UHFFFAOYSA-N
• XLogP: 23.89
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2312.63
LogP ≤ 5	23.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[3-pentyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,3-dimethyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-(4-propylbenzene-6-id-1-yl)pyridine;2-(4-propylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The IUPAC name of 3,5-dimethyl-2-[3-pentyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,3-dimethyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-(4-propylbenzene-6-id-1-yl)pyridine;2-(4-propylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 159757297) is 3,5-dimethyl-2-[3-pentyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,3-dimethyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-(4-propylbenzene-6-id-1-yl)pyridine;2-(4-propylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

What is the SMILES notation for 3,5-dimethyl-2-[3-pentyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,3-dimethyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-(4-propylbenzene-6-id-1-yl)pyridine;2-(4-propylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The canonical SMILES for 3,5-dimethyl-2-[3-pentyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,3-dimethyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-(4-propylbenzene-6-id-1-yl)pyridine;2-(4-propylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is CCCCCc1cc(-c2ncc(C)cc2C)[c-]cc1C(F)(F)F.CCCc1c[c-]c(-c2cc(C)ccn2)cc1.CCCc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.CCCc1cc(-c2ccc(C)c(C)n2)[c-]cc1C(F)(F)F.CCCc1cc(-c2ccccn2)[c-]cc1C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 3,5-dimethyl-2-[3-pentyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,3-dimethyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-(4-propylbenzene-6-id-1-yl)pyridine;2-(4-propylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The InChIKey is WOCGIOGVWJCCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N.C17H17F3N.2C15H13F3N.C15H16N.5Ir/c1-4-5-6-7-15-11-16(8-9-17(15)19(20,21)22)18-14(3)10-13(2)12-23-18;1-4-5-13-10-14(7-8-15(13)17(18,19)20)16-9-6-11(2)12(3)21-16;1-2-5-11-10-12(14-6-3-4-9-19-14)7-8-13(11)15(16,17)18;1-2-3-11-4-6-12(7-5-11)14-9-8-13(10-19-14)15(16,17)18;1-3-4-13-5-7-14(8-6-13)15-11-12(2)9-10-16-15;;;;;/h9-12H,4-7H2,1-3H3;6,8-10H,4-5H2,1-3H3;3-4,6,8-10H,2,5H2,1H3;4-6,8-10H,2-3H2,1H3;5-7,9-11H,3-4H2,1-2H3;;;;;/q5*-1;;;;;.

What are the key properties of 3,5-dimethyl-2-[3-pentyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,3-dimethyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-(4-propylbenzene-6-id-1-yl)pyridine;2-(4-propylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

3,5-dimethyl-2-[3-pentyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,3-dimethyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-(4-propylbenzene-6-id-1-yl)pyridine;2-(4-propylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 2312.63 g/mol, XLogP of 23.89, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-2-[3-pentyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2,3-dimethyl-6-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);4-methyl-2-(4-propylbenzene-6-id-1-yl)pyridine;2-(4-propylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-[3-propyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 159757297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).