2-(3-ethylbenzene-2-id-1-yl)-N,N-dimethylpyridin-4-amine;1-(3-ethylbenzene-2-id-1-yl)-4-fluoroisoquinoline;1-(3-ethylbenzene-2-id-1-yl)isoquinoline;1-(3-ethyl-4-fluorobenzene-2-id-1-yl)isoquinoline;2-[3-ethyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;pentakis(iridium)

C80H68F5Ir5N6-5 — CID 157446065

About 2-(3-ethylbenzene-2-id-1-yl)-N,N-dimethylpyridin-4-amine;1-(3-ethylbenzene-2-id-1-yl)-4-fluoroisoquinoline;1-(3-ethylbenzene-2-id-1-yl)isoquinoline;1-(3-ethyl-4-fluorobenzene-2-id-1-yl)isoquinoline;2-[3-ethyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;pentakis(iridium)

2-(3-ethylbenzene-2-id-1-yl)-N,N-dimethylpyridin-4-amine;1-(3-ethylbenzene-2-id-1-yl)-4-fluoroisoquinoline;1-(3-ethylbenzene-2-id-1-yl)isoquinoline;1-(3-ethyl-4-fluorobenzene-2-id-1-yl)isoquinoline;2-[3-ethyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;pentakis(iridium) (PubChem CID 157446065) has the molecular formula C80H68F5Ir5N6-5 and a molecular weight of 2169.54 g/mol. Its IUPAC name is 2-(3-ethylbenzene-2-id-1-yl)-N,N-dimethylpyridin-4-amine;1-(3-ethylbenzene-2-id-1-yl)-4-fluoroisoquinoline;1-(3-ethylbenzene-2-id-1-yl)isoquinoline;1-(3-ethyl-4-fluorobenzene-2-id-1-yl)isoquinoline;2-[3-ethyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;pentakis(iridium).

Molecular Properties

• Compound Name: 2-(3-ethylbenzene-2-id-1-yl)-N,N-dimethylpyridin-4-amine;1-(3-ethylbenzene-2-id-1-yl)-4-fluoroisoquinoline;1-(3-ethylbenzene-2-id-1-yl)isoquinoline;1-(3-ethyl-4-fluorobenzene-2-id-1-yl)isoquinoline;2-[3-ethyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;pentakis(iridium)
• PubChem CID: 157446065
• Molecular Formula: C80H68F5Ir5N6-5
• Molecular Weight: 2169.54 g/mol
• Exact Mass: 2172.36
• IUPAC Name: 2-(3-ethylbenzene-2-id-1-yl)-N,N-dimethylpyridin-4-amine;1-(3-ethylbenzene-2-id-1-yl)-4-fluoroisoquinoline;1-(3-ethylbenzene-2-id-1-yl)isoquinoline;1-(3-ethyl-4-fluorobenzene-2-id-1-yl)isoquinoline;2-[3-ethyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;pentakis(iridium)
• SMILES: CCc1[c-]c(-c2cc(N(C)C)ccn2)ccc1.CCc1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.CCc1[c-]c(-c2ncc(F)c3ccccc23)ccc1.CCc1[c-]c(-c2nccc3ccccc23)ccc1.CCc1[c-]c(-c2nccc3ccccc23)ccc1F.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C17H13FN.C17H14N.C15H17N2.C14H11F3N.5Ir/c1-2-12-6-5-7-13(10-12)17-15-9-4-3-8-14(15)16(18)11-19-17;1-2-12-11-14(7-8-16(12)18)17-15-6-4-3-5-13(15)9-10-19-17;1-2-13-6-5-8-15(12-13)17-16-9-4-3-7-14(16)10-11-18-17;1-4-12-6-5-7-13(10-12)15-11-14(17(2)3)8-9-16-15;1-2-10-7-11(13-5-3-4-6-18-13)9-12(8-10)14(15,16)17;;;;;/h3-9,11H,2H2,1H3;3-10H,2H2,1H3;3-11H,2H2,1H3;5-9,11H,4H2,1-3H3;3-6,8-9H,2H2,1H3;;;;;/q5*-1
• InChIKey: PSCYRIQLUCMLJK-UHFFFAOYSA-N
• XLogP: 20.37
• TPSA: 67.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2169.54
LogP ≤ 5	20.37
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-(3-ethylbenzene-2-id-1-yl)-N,N-dimethylpyridin-4-amine;1-(3-ethylbenzene-2-id-1-yl)-4-fluoroisoquinoline;1-(3-ethylbenzene-2-id-1-yl)isoquinoline;1-(3-ethyl-4-fluorobenzene-2-id-1-yl)isoquinoline;2-[3-ethyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;pentakis(iridium)?

The IUPAC name of 2-(3-ethylbenzene-2-id-1-yl)-N,N-dimethylpyridin-4-amine;1-(3-ethylbenzene-2-id-1-yl)-4-fluoroisoquinoline;1-(3-ethylbenzene-2-id-1-yl)isoquinoline;1-(3-ethyl-4-fluorobenzene-2-id-1-yl)isoquinoline;2-[3-ethyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;pentakis(iridium) (CID 157446065) is 2-(3-ethylbenzene-2-id-1-yl)-N,N-dimethylpyridin-4-amine;1-(3-ethylbenzene-2-id-1-yl)-4-fluoroisoquinoline;1-(3-ethylbenzene-2-id-1-yl)isoquinoline;1-(3-ethyl-4-fluorobenzene-2-id-1-yl)isoquinoline;2-[3-ethyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;pentakis(iridium).

What is the SMILES notation for 2-(3-ethylbenzene-2-id-1-yl)-N,N-dimethylpyridin-4-amine;1-(3-ethylbenzene-2-id-1-yl)-4-fluoroisoquinoline;1-(3-ethylbenzene-2-id-1-yl)isoquinoline;1-(3-ethyl-4-fluorobenzene-2-id-1-yl)isoquinoline;2-[3-ethyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;pentakis(iridium)?

The canonical SMILES for 2-(3-ethylbenzene-2-id-1-yl)-N,N-dimethylpyridin-4-amine;1-(3-ethylbenzene-2-id-1-yl)-4-fluoroisoquinoline;1-(3-ethylbenzene-2-id-1-yl)isoquinoline;1-(3-ethyl-4-fluorobenzene-2-id-1-yl)isoquinoline;2-[3-ethyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;pentakis(iridium) is CCc1[c-]c(-c2cc(N(C)C)ccn2)ccc1.CCc1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.CCc1[c-]c(-c2ncc(F)c3ccccc23)ccc1.CCc1[c-]c(-c2nccc3ccccc23)ccc1.CCc1[c-]c(-c2nccc3ccccc23)ccc1F.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(3-ethylbenzene-2-id-1-yl)-N,N-dimethylpyridin-4-amine;1-(3-ethylbenzene-2-id-1-yl)-4-fluoroisoquinoline;1-(3-ethylbenzene-2-id-1-yl)isoquinoline;1-(3-ethyl-4-fluorobenzene-2-id-1-yl)isoquinoline;2-[3-ethyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;pentakis(iridium)?

The InChIKey is PSCYRIQLUCMLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H13FN.C17H14N.C15H17N2.C14H11F3N.5Ir/c1-2-12-6-5-7-13(10-12)17-15-9-4-3-8-14(15)16(18)11-19-17;1-2-12-11-14(7-8-16(12)18)17-15-6-4-3-5-13(15)9-10-19-17;1-2-13-6-5-8-15(12-13)17-16-9-4-3-7-14(16)10-11-18-17;1-4-12-6-5-7-13(10-12)15-11-14(17(2)3)8-9-16-15;1-2-10-7-11(13-5-3-4-6-18-13)9-12(8-10)14(15,16)17;;;;;/h3-9,11H,2H2,1H3;3-10H,2H2,1H3;3-11H,2H2,1H3;5-9,11H,4H2,1-3H3;3-6,8-9H,2H2,1H3;;;;;/q5*-1;;;;;.

What are the key properties of 2-(3-ethylbenzene-2-id-1-yl)-N,N-dimethylpyridin-4-amine;1-(3-ethylbenzene-2-id-1-yl)-4-fluoroisoquinoline;1-(3-ethylbenzene-2-id-1-yl)isoquinoline;1-(3-ethyl-4-fluorobenzene-2-id-1-yl)isoquinoline;2-[3-ethyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;pentakis(iridium)?

2-(3-ethylbenzene-2-id-1-yl)-N,N-dimethylpyridin-4-amine;1-(3-ethylbenzene-2-id-1-yl)-4-fluoroisoquinoline;1-(3-ethylbenzene-2-id-1-yl)isoquinoline;1-(3-ethyl-4-fluorobenzene-2-id-1-yl)isoquinoline;2-[3-ethyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;pentakis(iridium) has a molecular weight of 2169.54 g/mol, XLogP of 20.37, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-ethylbenzene-2-id-1-yl)-N,N-dimethylpyridin-4-amine;1-(3-ethylbenzene-2-id-1-yl)-4-fluoroisoquinoline;1-(3-ethylbenzene-2-id-1-yl)isoquinoline;1-(3-ethyl-4-fluorobenzene-2-id-1-yl)isoquinoline;2-[3-ethyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;pentakis(iridium) is sourced from PubChem (CID 157446065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).