1-(4-fluorobenzene-6-id-1-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C101H69F5Ir7N7-7 — CID 158147643

About 1-(4-fluorobenzene-6-id-1-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

1-(4-fluorobenzene-6-id-1-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 158147643) has the molecular formula C101H69F5Ir7N7-7 and a molecular weight of 2821.22 g/mol. Its IUPAC name is 1-(4-fluorobenzene-6-id-1-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 1-(4-fluorobenzene-6-id-1-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• PubChem CID: 158147643
• Molecular Formula: C101H69F5Ir7N7-7
• Molecular Weight: 2821.22 g/mol
• Exact Mass: 2825.30
• IUPAC Name: 1-(4-fluorobenzene-6-id-1-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• SMILES: Cc1ccc[c-]c1-c1ccccn1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2nccc3ccccc23)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1cccc(-c2ccccc2)c1-c1ccccn1
• InChI: InChI=1S/3C17H12N.C15H9FN.C12H7F3N.C12H10N.C11H7FN.7Ir/c1-2-8-14(9-3-1)15-10-4-5-11-16(15)17-12-6-7-13-18-17;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;16-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-17-15;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;;;;/h1-10,12-13H;1-9,11-13H;1-11,13H;1-5,7-10H;1-4,6-8H;2-6,8-9H,1H3;1-4,6-8H;;;;;;;/q7*-1
• InChIKey: FZPYGRPNZDUFNO-UHFFFAOYSA-N
• XLogP: 25.58
• TPSA: 90.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2821.22
LogP ≤ 5	25.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzene-6-id-1-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The IUPAC name of 1-(4-fluorobenzene-6-id-1-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 158147643) is 1-(4-fluorobenzene-6-id-1-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

What is the SMILES notation for 1-(4-fluorobenzene-6-id-1-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The canonical SMILES for 1-(4-fluorobenzene-6-id-1-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is Cc1ccc[c-]c1-c1ccccn1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2nccc3ccccc23)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1cccc(-c2ccccc2)c1-c1ccccn1.

What is the InChIKey of 1-(4-fluorobenzene-6-id-1-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The InChIKey is FZPYGRPNZDUFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H12N.C15H9FN.C12H7F3N.C12H10N.C11H7FN.7Ir/c1-2-8-14(9-3-1)15-10-4-5-11-16(15)17-12-6-7-13-18-17;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;16-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-17-15;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;;;;/h1-10,12-13H;1-9,11-13H;1-11,13H;1-5,7-10H;1-4,6-8H;2-6,8-9H,1H3;1-4,6-8H;;;;;;;/q7*-1;;;;;;;.

What are the key properties of 1-(4-fluorobenzene-6-id-1-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

1-(4-fluorobenzene-6-id-1-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 2821.22 g/mol, XLogP of 25.58, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorobenzene-6-id-1-yl)isoquinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;2-(2-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 158147643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).