5-(3-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)pyrazine;tris(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;tris(pentane-2,4-diol);3-phenyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazine

C86H87F4Ir3N6O6-3 — CID 158262815

About 5-(3-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)pyrazine;tris(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;tris(pentane-2,4-diol);3-phenyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazine

5-(3-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)pyrazine;tris(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;tris(pentane-2,4-diol);3-phenyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazine (PubChem CID 158262815) has the molecular formula C86H87F4Ir3N6O6-3 and a molecular weight of 1953.32 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)pyrazine;tris(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;tris(pentane-2,4-diol);3-phenyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazine.

Molecular Properties

• Compound Name: 5-(3-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)pyrazine;tris(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;tris(pentane-2,4-diol);3-phenyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazine
• PubChem CID: 158262815
• Molecular Formula: C86H87F4Ir3N6O6-3
• Molecular Weight: 1953.32 g/mol
• Exact Mass: 1954.55
• IUPAC Name: 5-(3-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)pyrazine;tris(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;tris(pentane-2,4-diol);3-phenyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazine
• SMILES: CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1c[c-]c(-c2ncc(-c3cccc(F)c3)nc2-c2ccc(C)cc2)cc1.Cc1c[c-]c(-c2ncc(-c3ccccc3)nc2-c2ccc(C)cc2)cc1.FC(F)(F)c1ccc(-c2cnc(-c3[c-]cccc3)c(-c3ccccc3)n2)cc1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C24H18FN2.C24H19N2.C23H14F3N2.3C5H12O2.3Ir/c1-16-6-10-18(11-7-16)23-24(19-12-8-17(2)9-13-19)27-22(15-26-23)20-4-3-5-21(25)14-20;1-17-8-12-20(13-9-17)23-24(21-14-10-18(2)11-15-21)26-22(16-25-23)19-6-4-3-5-7-19;24-23(25,26)19-13-11-16(12-14-19)20-15-27-21(17-7-3-1-4-8-17)22(28-20)18-9-5-2-6-10-18;3*1-4(6)3-5(2)7;;;/h3-10,12-15H,1-2H3;3-12,14-16H,1-2H3;1-7,9-15H;3*4-7H,3H2,1-2H3;;;/q3*-1
• InChIKey: OQKWSGZRNQZYNG-UHFFFAOYSA-N
• XLogP: 18.63
• TPSA: 198.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1953.32
LogP ≤ 5	18.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)pyrazine;tris(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;tris(pentane-2,4-diol);3-phenyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazine?

The IUPAC name of 5-(3-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)pyrazine;tris(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;tris(pentane-2,4-diol);3-phenyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazine (CID 158262815) is 5-(3-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)pyrazine;tris(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;tris(pentane-2,4-diol);3-phenyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazine.

What is the SMILES notation for 5-(3-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)pyrazine;tris(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;tris(pentane-2,4-diol);3-phenyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazine?

The canonical SMILES for 5-(3-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)pyrazine;tris(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;tris(pentane-2,4-diol);3-phenyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazine is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1c[c-]c(-c2ncc(-c3cccc(F)c3)nc2-c2ccc(C)cc2)cc1.Cc1c[c-]c(-c2ncc(-c3ccccc3)nc2-c2ccc(C)cc2)cc1.FC(F)(F)c1ccc(-c2cnc(-c3[c-]cccc3)c(-c3ccccc3)n2)cc1.[Ir].[Ir].[Ir].

What is the InChIKey of 5-(3-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)pyrazine;tris(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;tris(pentane-2,4-diol);3-phenyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazine?

The InChIKey is OQKWSGZRNQZYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN2.C24H19N2.C23H14F3N2.3C5H12O2.3Ir/c1-16-6-10-18(11-7-16)23-24(19-12-8-17(2)9-13-19)27-22(15-26-23)20-4-3-5-21(25)14-20;1-17-8-12-20(13-9-17)23-24(21-14-10-18(2)11-15-21)26-22(16-25-23)19-6-4-3-5-7-19;24-23(25,26)19-13-11-16(12-14-19)20-15-27-21(17-7-3-1-4-8-17)22(28-20)18-9-5-2-6-10-18;3*1-4(6)3-5(2)7;;;/h3-10,12-15H,1-2H3;3-12,14-16H,1-2H3;1-7,9-15H;3*4-7H,3H2,1-2H3;;;/q3*-1;;;;;;.

What are the key properties of 5-(3-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)pyrazine;tris(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;tris(pentane-2,4-diol);3-phenyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazine?

5-(3-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)pyrazine;tris(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;tris(pentane-2,4-diol);3-phenyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazine has a molecular weight of 1953.32 g/mol, XLogP of 18.63, 15 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)pyrazine;tris(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;tris(pentane-2,4-diol);3-phenyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazine is sourced from PubChem (CID 158262815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).