2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);octakis(iridium)

C125H94F12Ir8N11O6-9 — CID 157479492

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);octakis(iridium)

2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);octakis(iridium) (PubChem CID 157479492) has the molecular formula C125H94F12Ir8N11O6-9 and a molecular weight of 3611.91 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);octakis(iridium).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);octakis(iridium)
• PubChem CID: 157479492
• Molecular Formula: C125H94F12Ir8N11O6-9
• Molecular Weight: 3611.91 g/mol
• Exact Mass: 3616.43
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);octakis(iridium)
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CN(C)c1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H16FN2.C13H12FN2.C12H8F2NO.C12H9FNO.2C11H6F2N.3C11H7FN.2C5H8O2.8Ir/c24-19-13-11-18(12-14-19)23-17-22(15-16-25-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21;1-16(2)12-7-8-15-13(9-12)10-3-5-11(14)6-4-10;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;2*1-4(6)3-5(2)7;;;;;;;;/h1-11,13-17H;3,5-9H,1-2H3;2,4-7H,1H3;2,4-8H,1H3;2*1-4,6-7H;3*1-4,6-8H;2*3,6H,1-2H3;;;;;;;;/q9*-1
• InChIKey: OWNFJJRDOFIUSO-UHFFFAOYSA-N
• XLogP: 30.22
• TPSA: 215.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3611.91
LogP ≤ 5	30.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);octakis(iridium)?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);octakis(iridium) (CID 157479492) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);octakis(iridium).

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);octakis(iridium)?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);octakis(iridium) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CN(C)c1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);octakis(iridium)?

The InChIKey is OWNFJJRDOFIUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN2.C13H12FN2.C12H8F2NO.C12H9FNO.2C11H6F2N.3C11H7FN.2C5H8O2.8Ir/c24-19-13-11-18(12-14-19)23-17-22(15-16-25-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21;1-16(2)12-7-8-15-13(9-12)10-3-5-11(14)6-4-10;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;2*1-4(6)3-5(2)7;;;;;;;;/h1-11,13-17H;3,5-9H,1-2H3;2,4-7H,1H3;2,4-8H,1H3;2*1-4,6-7H;3*1-4,6-8H;2*3,6H,1-2H3;;;;;;;;/q9*-1;;;;;;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);octakis(iridium)?

2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);octakis(iridium) has a molecular weight of 3611.91 g/mol, XLogP of 30.22, 17 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);octakis(iridium) is sourced from PubChem (CID 157479492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).