2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(4-methoxybenzene-6-id-1-yl)pyridine;1-(4-methoxy-3-methylbenzene-6-id-1-yl)isoquinoline;2-(4-methoxy-3-methylbenzene-6-id-1-yl)pyridine;bis(1-(4-methylbenzene-6-id-1-yl)isoquinoline);2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine

C110H89FIr8N8O3-8 — CID 157208318

About 2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(4-methoxybenzene-6-id-1-yl)pyridine;1-(4-methoxy-3-methylbenzene-6-id-1-yl)isoquinoline;2-(4-methoxy-3-methylbenzene-6-id-1-yl)pyridine;bis(1-(4-methylbenzene-6-id-1-yl)isoquinoline);2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine

2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(4-methoxybenzene-6-id-1-yl)pyridine;1-(4-methoxy-3-methylbenzene-6-id-1-yl)isoquinoline;2-(4-methoxy-3-methylbenzene-6-id-1-yl)pyridine;bis(1-(4-methylbenzene-6-id-1-yl)isoquinoline);2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine (PubChem CID 157208318) has the molecular formula C110H89FIr8N8O3-8 and a molecular weight of 3127.71 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(4-methoxybenzene-6-id-1-yl)pyridine;1-(4-methoxy-3-methylbenzene-6-id-1-yl)isoquinoline;2-(4-methoxy-3-methylbenzene-6-id-1-yl)pyridine;bis(1-(4-methylbenzene-6-id-1-yl)isoquinoline);2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine.

Molecular Properties

• Compound Name: 2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(4-methoxybenzene-6-id-1-yl)pyridine;1-(4-methoxy-3-methylbenzene-6-id-1-yl)isoquinoline;2-(4-methoxy-3-methylbenzene-6-id-1-yl)pyridine;bis(1-(4-methylbenzene-6-id-1-yl)isoquinoline);2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine
• PubChem CID: 157208318
• Molecular Formula: C110H89FIr8N8O3-8
• Molecular Weight: 3127.71 g/mol
• Exact Mass: 3132.41
• IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(4-methoxybenzene-6-id-1-yl)pyridine;1-(4-methoxy-3-methylbenzene-6-id-1-yl)isoquinoline;2-(4-methoxy-3-methylbenzene-6-id-1-yl)pyridine;bis(1-(4-methylbenzene-6-id-1-yl)isoquinoline);2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine
• SMILES: COc1c[c-]c(-c2ccccn2)cc1.COc1c[c-]c(-c2ccccn2)cc1C.COc1c[c-]c(-c2nccc3ccccc23)cc1C.Cc1c[c-]c(-c2cc(C)ccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2nccc3ccccc23)cc1.Cc1c[c-]c(-c2nccc3ccccc23)cc1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C17H14NO.2C16H12N.C13H12NO.C13H12N.C12H10NO.C12H10N.C11H7FN.8Ir/c1-12-11-14(7-8-16(12)19-2)17-15-6-4-3-5-13(15)9-10-18-17;2*1-12-6-8-14(9-7-12)16-15-5-3-2-4-13(15)10-11-17-16;1-10-9-11(6-7-13(10)15-2)12-5-3-4-8-14-12;1-10-3-5-12(6-4-10)13-9-11(2)7-8-14-13;1-14-11-7-5-10(6-8-11)12-4-2-3-9-13-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;;;;;/h3-6,8-11H,1-2H3;2*2-8,10-11H,1H3;3-5,7-9H,1-2H3;3-5,7-9H,1-2H3;2-5,7-9H,1H3;2-7,9H,1H3;1-4,6-8H;;;;;;;;/q8*-1
• InChIKey: JTYGNWXXPHUYKZ-UHFFFAOYSA-N
• XLogP: 26.15
• TPSA: 130.81 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3127.71
LogP ≤ 5	26.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(4-methoxybenzene-6-id-1-yl)pyridine;1-(4-methoxy-3-methylbenzene-6-id-1-yl)isoquinoline;2-(4-methoxy-3-methylbenzene-6-id-1-yl)pyridine;bis(1-(4-methylbenzene-6-id-1-yl)isoquinoline);2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine?

The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(4-methoxybenzene-6-id-1-yl)pyridine;1-(4-methoxy-3-methylbenzene-6-id-1-yl)isoquinoline;2-(4-methoxy-3-methylbenzene-6-id-1-yl)pyridine;bis(1-(4-methylbenzene-6-id-1-yl)isoquinoline);2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine (CID 157208318) is 2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(4-methoxybenzene-6-id-1-yl)pyridine;1-(4-methoxy-3-methylbenzene-6-id-1-yl)isoquinoline;2-(4-methoxy-3-methylbenzene-6-id-1-yl)pyridine;bis(1-(4-methylbenzene-6-id-1-yl)isoquinoline);2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine.

What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(4-methoxybenzene-6-id-1-yl)pyridine;1-(4-methoxy-3-methylbenzene-6-id-1-yl)isoquinoline;2-(4-methoxy-3-methylbenzene-6-id-1-yl)pyridine;bis(1-(4-methylbenzene-6-id-1-yl)isoquinoline);2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine?

The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(4-methoxybenzene-6-id-1-yl)pyridine;1-(4-methoxy-3-methylbenzene-6-id-1-yl)isoquinoline;2-(4-methoxy-3-methylbenzene-6-id-1-yl)pyridine;bis(1-(4-methylbenzene-6-id-1-yl)isoquinoline);2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine is COc1c[c-]c(-c2ccccn2)cc1.COc1c[c-]c(-c2ccccn2)cc1C.COc1c[c-]c(-c2nccc3ccccc23)cc1C.Cc1c[c-]c(-c2cc(C)ccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2nccc3ccccc23)cc1.Cc1c[c-]c(-c2nccc3ccccc23)cc1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(4-methoxybenzene-6-id-1-yl)pyridine;1-(4-methoxy-3-methylbenzene-6-id-1-yl)isoquinoline;2-(4-methoxy-3-methylbenzene-6-id-1-yl)pyridine;bis(1-(4-methylbenzene-6-id-1-yl)isoquinoline);2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine?

The InChIKey is JTYGNWXXPHUYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14NO.2C16H12N.C13H12NO.C13H12N.C12H10NO.C12H10N.C11H7FN.8Ir/c1-12-11-14(7-8-16(12)19-2)17-15-6-4-3-5-13(15)9-10-18-17;2*1-12-6-8-14(9-7-12)16-15-5-3-2-4-13(15)10-11-17-16;1-10-9-11(6-7-13(10)15-2)12-5-3-4-8-14-12;1-10-3-5-12(6-4-10)13-9-11(2)7-8-14-13;1-14-11-7-5-10(6-8-11)12-4-2-3-9-13-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;;;;;/h3-6,8-11H,1-2H3;2*2-8,10-11H,1H3;3-5,7-9H,1-2H3;3-5,7-9H,1-2H3;2-5,7-9H,1H3;2-7,9H,1H3;1-4,6-8H;;;;;;;;/q8*-1;;;;;;;;.

What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(4-methoxybenzene-6-id-1-yl)pyridine;1-(4-methoxy-3-methylbenzene-6-id-1-yl)isoquinoline;2-(4-methoxy-3-methylbenzene-6-id-1-yl)pyridine;bis(1-(4-methylbenzene-6-id-1-yl)isoquinoline);2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine?

2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(4-methoxybenzene-6-id-1-yl)pyridine;1-(4-methoxy-3-methylbenzene-6-id-1-yl)isoquinoline;2-(4-methoxy-3-methylbenzene-6-id-1-yl)pyridine;bis(1-(4-methylbenzene-6-id-1-yl)isoquinoline);2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine has a molecular weight of 3127.71 g/mol, XLogP of 26.15, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(4-methoxybenzene-6-id-1-yl)pyridine;1-(4-methoxy-3-methylbenzene-6-id-1-yl)isoquinoline;2-(4-methoxy-3-methylbenzene-6-id-1-yl)pyridine;bis(1-(4-methylbenzene-6-id-1-yl)isoquinoline);2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 157208318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).