2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carboxylate;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;tris(pentane-2,4-diol);bis(pyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine

C120H103F14Ir5N14O14-5 — CID 159463929

About 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carboxylate;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;tris(pentane-2,4-diol);bis(pyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine

2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carboxylate;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;tris(pentane-2,4-diol);bis(pyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine (PubChem CID 159463929) has the molecular formula C120H103F14Ir5N14O14-5 and a molecular weight of 3192.28 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carboxylate;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;tris(pentane-2,4-diol);bis(pyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine.

Molecular Properties

• Compound Name: 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carboxylate;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;tris(pentane-2,4-diol);bis(pyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine
• PubChem CID: 159463929
• Molecular Formula: C120H103F14Ir5N14O14-5
• Molecular Weight: 3192.28 g/mol
• Exact Mass: 3194.57
• IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carboxylate;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;tris(pentane-2,4-diol);bis(pyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine
• SMILES: CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.COC(=O)c1c[c-]c(-c2ncc(C)nc2-c2ccc(C(=O)OC)cc2)cc1.Cc1cnc(-c2[c-]cc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)n1.FC(F)(F)c1c[c-]c(-c2nccnc2-c2ccc(C(F)(F)F)cc2)cc1.Fc1c[c-]c(-c2nccnc2-c2ccc(F)cc2)cc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[C-]#[N+]c1ccc(-c2nc(C)cnc2-c2[c-]cc(C#N)cc2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C21H17N2O4.C19H11F6N2.C19H11N4.C18H9F6N2.C16H9F2N2.2C6H5NO2.3C5H12O2.5Ir/c1-13-12-22-18(14-4-8-16(9-5-14)20(24)26-2)19(23-13)15-6-10-17(11-7-15)21(25)27-3;1-11-10-26-16(12-2-6-14(7-3-12)18(20,21)22)17(27-11)13-4-8-15(9-5-13)19(23,24)25;1-13-12-22-18(15-5-3-14(11-20)4-6-15)19(23-13)16-7-9-17(21-2)10-8-16;19-17(20,21)13-5-1-11(2-6-13)15-16(26-10-9-25-15)12-3-7-14(8-4-12)18(22,23)24;17-13-5-1-11(2-6-13)15-16(20-10-9-19-15)12-3-7-14(18)8-4-12;2*8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;/h4,6-12H,1-3H3;2,4-10H,1H3;3-5,7-10,12H,1H3;1-3,5-10H;1-3,5-10H;2*1-4H,(H,8,9);3*4-7H,3H2,1-2H3;;;;;/q5*-1
• InChIKey: WXHOMHBCVOPOLR-UHFFFAOYSA-N
• XLogP: 25.29
• TPSA: 431.41 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3192.28
LogP ≤ 5	25.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

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)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carboxylate;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;tris(pentane-2,4-diol);bis(pyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine?

The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carboxylate;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;tris(pentane-2,4-diol);bis(pyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine (CID 159463929) is 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carboxylate;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;tris(pentane-2,4-diol);bis(pyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine.

What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carboxylate;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;tris(pentane-2,4-diol);bis(pyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine?

The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carboxylate;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;tris(pentane-2,4-diol);bis(pyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.COC(=O)c1c[c-]c(-c2ncc(C)nc2-c2ccc(C(=O)OC)cc2)cc1.Cc1cnc(-c2[c-]cc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)n1.FC(F)(F)c1c[c-]c(-c2nccnc2-c2ccc(C(F)(F)F)cc2)cc1.Fc1c[c-]c(-c2nccnc2-c2ccc(F)cc2)cc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[C-]#[N+]c1ccc(-c2nc(C)cnc2-c2[c-]cc(C#N)cc2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carboxylate;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;tris(pentane-2,4-diol);bis(pyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine?

The InChIKey is WXHOMHBCVOPOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N2O4.C19H11F6N2.C19H11N4.C18H9F6N2.C16H9F2N2.2C6H5NO2.3C5H12O2.5Ir/c1-13-12-22-18(14-4-8-16(9-5-14)20(24)26-2)19(23-13)15-6-10-17(11-7-15)21(25)27-3;1-11-10-26-16(12-2-6-14(7-3-12)18(20,21)22)17(27-11)13-4-8-15(9-5-13)19(23,24)25;1-13-12-22-18(15-5-3-14(11-20)4-6-15)19(23-13)16-7-9-17(21-2)10-8-16;19-17(20,21)13-5-1-11(2-6-13)15-16(26-10-9-25-15)12-3-7-14(8-4-12)18(22,23)24;17-13-5-1-11(2-6-13)15-16(20-10-9-19-15)12-3-7-14(18)8-4-12;2*8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;/h4,6-12H,1-3H3;2,4-10H,1H3;3-5,7-10,12H,1H3;1-3,5-10H;1-3,5-10H;2*1-4H,(H,8,9);3*4-7H,3H2,1-2H3;;;;;/q5*-1;;;;;;;;;;.

What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carboxylate;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;tris(pentane-2,4-diol);bis(pyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine?

2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carboxylate;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;tris(pentane-2,4-diol);bis(pyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine has a molecular weight of 3192.28 g/mol, XLogP of 25.29, 20 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)-5-methylpyrazin-2-yl]benzene-5-ide-1-carboxylate;5-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine;tris(pentane-2,4-diol);bis(pyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine is sourced from PubChem (CID 159463929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).