2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;1-phenylpyrazole;tris(2-phenylpyridine);2-pyridin-2-ylpyridine;dihexafluorophosphate

C119H87F20Ir6N12O4P2-9 — CID 160890635

About 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;1-phenylpyrazole;tris(2-phenylpyridine);2-pyridin-2-ylpyridine;dihexafluorophosphate

2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;1-phenylpyrazole;tris(2-phenylpyridine);2-pyridin-2-ylpyridine;dihexafluorophosphate (PubChem CID 160890635) has the molecular formula C119H87F20Ir6N12O4P2-9 and a molecular weight of 3344.29 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;1-phenylpyrazole;tris(2-phenylpyridine);2-pyridin-2-ylpyridine;dihexafluorophosphate.

Molecular Properties

• Compound Name: 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;1-phenylpyrazole;tris(2-phenylpyridine);2-pyridin-2-ylpyridine;dihexafluorophosphate
• PubChem CID: 160890635
• Molecular Formula: C119H87F20Ir6N12O4P2-9
• Molecular Weight: 3344.29 g/mol
• Exact Mass: 3347.40
• IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;1-phenylpyrazole;tris(2-phenylpyridine);2-pyridin-2-ylpyridine;dihexafluorophosphate
• SMILES: Cc1c[c-]c(-c2ccccn2)cc1.Cc1ccnc(-c2[c-]cc(F)cc2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Fc1c[c-]c(-c2ccccn2)cc1.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1cccn1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C15H12O2.C12H9FN.C12H8N2.C12H10N.C11H7FN.3C11H8N.C10H8N2.C9H7N2.C5H2F6O2.2F6P.6Ir/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;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;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-5-9(6-3-1)11-8-4-7-10-11;6-4(7,8)2(12)1-3(13)5(9,10)11;2*1-7(2,3,4,5)6;;;;;;/h1-11,16H;2,4-8H,1H3;1-8H;2-7,9H,1H3;1-4,6-8H;3*1-6,8-9H;1-8H;1-5,7-8H;1,12H;;;;;;;;/q;-1;;5*-1;;-1;;2*-1
• InChIKey: SPNOLRVWPJXPEW-UHFFFAOYSA-N
• XLogP: 35.13
• TPSA: 221.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3344.29
LogP ≤ 5	35.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;1-phenylpyrazole;tris(2-phenylpyridine);2-pyridin-2-ylpyridine;dihexafluorophosphate?

The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;1-phenylpyrazole;tris(2-phenylpyridine);2-pyridin-2-ylpyridine;dihexafluorophosphate (CID 160890635) is 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;1-phenylpyrazole;tris(2-phenylpyridine);2-pyridin-2-ylpyridine;dihexafluorophosphate.

What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;1-phenylpyrazole;tris(2-phenylpyridine);2-pyridin-2-ylpyridine;dihexafluorophosphate?

The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;1-phenylpyrazole;tris(2-phenylpyridine);2-pyridin-2-ylpyridine;dihexafluorophosphate is Cc1c[c-]c(-c2ccccn2)cc1.Cc1ccnc(-c2[c-]cc(F)cc2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Fc1c[c-]c(-c2ccccn2)cc1.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1cccn1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;1-phenylpyrazole;tris(2-phenylpyridine);2-pyridin-2-ylpyridine;dihexafluorophosphate?

The InChIKey is SPNOLRVWPJXPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2.C12H9FN.C12H8N2.C12H10N.C11H7FN.3C11H8N.C10H8N2.C9H7N2.C5H2F6O2.2F6P.6Ir/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;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;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-5-9(6-3-1)11-8-4-7-10-11;6-4(7,8)2(12)1-3(13)5(9,10)11;2*1-7(2,3,4,5)6;;;;;;/h1-11,16H;2,4-8H,1H3;1-8H;2-7,9H,1H3;1-4,6-8H;3*1-6,8-9H;1-8H;1-5,7-8H;1,12H;;;;;;;;/q;-1;;5*-1;;-1;;2*-1;;;;;;.

What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;1-phenylpyrazole;tris(2-phenylpyridine);2-pyridin-2-ylpyridine;dihexafluorophosphate?

2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;1-phenylpyrazole;tris(2-phenylpyridine);2-pyridin-2-ylpyridine;dihexafluorophosphate has a molecular weight of 3344.29 g/mol, XLogP of 35.13, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;1-phenylpyrazole;tris(2-phenylpyridine);2-pyridin-2-ylpyridine;dihexafluorophosphate is sourced from PubChem (CID 160890635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).