2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-5,6-dimethylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)pyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)pyrazin-2-yl]benzene-5-ide-1-carboxylate;pentakis(pentane-2,4-diol);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine

C115H115F10Ir5N12O14-5 — CID 158421352

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

2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-5,6-dimethylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)pyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)pyrazin-2-yl]benzene-5-ide-1-carboxylate;pentakis(pentane-2,4-diol);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine (PubChem CID 158421352) has the molecular formula C115H115F10Ir5N12O14-5 and a molecular weight of 3040.32 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-5,6-dimethylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)pyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)pyrazin-2-yl]benzene-5-ide-1-carboxylate;pentakis(pentane-2,4-diol);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)-5,6-dimethylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)pyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)pyrazin-2-yl]benzene-5-ide-1-carboxylate;pentakis(pentane-2,4-diol);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine
• PubChem CID: 158421352
• Molecular Formula: C115H115F10Ir5N12O14-5
• Molecular Weight: 3040.32 g/mol
• Exact Mass: 3042.67
• IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-5,6-dimethylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)pyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)pyrazin-2-yl]benzene-5-ide-1-carboxylate;pentakis(pentane-2,4-diol);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.CC(O)CC(C)O.CC(O)CC(C)O.COC(=O)c1c[c-]c(-c2nccnc2-c2ccc(C(=O)OC)cc2)cc1.Cc1nc(-c2[c-]cc(F)cc2)c(-c2ccc(F)cc2)nc1C.FC(F)(F)c1c[c-]c(-c2nccnc2-c2ccc(C(F)(F)F)cc2)cc1.Fc1c[c-]c(-c2nccnc2-c2ccc(F)cc2)cc1.[C-]#[N+]c1ccc(-c2nccnc2-c2[c-]cc(C#N)cc2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C20H15N2O4.C18H9F6N2.C18H13F2N2.C18H9N4.C16H9F2N2.5C5H12O2.5Ir/c1-25-19(23)15-7-3-13(4-8-15)17-18(22-12-11-21-17)14-5-9-16(10-6-14)20(24)26-2;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;1-11-12(2)22-18(14-5-9-16(20)10-6-14)17(21-11)13-3-7-15(19)8-4-13;1-20-16-8-6-15(7-9-16)18-17(21-10-11-22-18)14-4-2-13(12-19)3-5-14;17-13-5-1-11(2-6-13)15-16(20-10-9-19-15)12-3-7-14(18)8-4-12;5*1-4(6)3-5(2)7;;;;;/h3-5,7-12H,1-2H3;1-3,5-10H;3-5,7-10H,1-2H3;2-4,6-11H;1-3,5-10H;5*4-7H,3H2,1-2H3;;;;;/q5*-1
• InChIKey: IPNYCUGDBNZTHF-UHFFFAOYSA-N
• XLogP: 21.94
• TPSA: 411.95 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3040.32
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	10
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)-5,6-dimethylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)pyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)pyrazin-2-yl]benzene-5-ide-1-carboxylate;pentakis(pentane-2,4-diol);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)-5,6-dimethylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)pyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)pyrazin-2-yl]benzene-5-ide-1-carboxylate;pentakis(pentane-2,4-diol);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine (CID 158421352) is 2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-5,6-dimethylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)pyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)pyrazin-2-yl]benzene-5-ide-1-carboxylate;pentakis(pentane-2,4-diol);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)-5,6-dimethylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)pyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)pyrazin-2-yl]benzene-5-ide-1-carboxylate;pentakis(pentane-2,4-diol);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)-5,6-dimethylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)pyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)pyrazin-2-yl]benzene-5-ide-1-carboxylate;pentakis(pentane-2,4-diol);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.CC(O)CC(C)O.CC(O)CC(C)O.COC(=O)c1c[c-]c(-c2nccnc2-c2ccc(C(=O)OC)cc2)cc1.Cc1nc(-c2[c-]cc(F)cc2)c(-c2ccc(F)cc2)nc1C.FC(F)(F)c1c[c-]c(-c2nccnc2-c2ccc(C(F)(F)F)cc2)cc1.Fc1c[c-]c(-c2nccnc2-c2ccc(F)cc2)cc1.[C-]#[N+]c1ccc(-c2nccnc2-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)-5,6-dimethylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)pyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)pyrazin-2-yl]benzene-5-ide-1-carboxylate;pentakis(pentane-2,4-diol);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine?

The InChIKey is IPNYCUGDBNZTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N2O4.C18H9F6N2.C18H13F2N2.C18H9N4.C16H9F2N2.5C5H12O2.5Ir/c1-25-19(23)15-7-3-13(4-8-15)17-18(22-12-11-21-17)14-5-9-16(10-6-14)20(24)26-2;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;1-11-12(2)22-18(14-5-9-16(20)10-6-14)17(21-11)13-3-7-15(19)8-4-13;1-20-16-8-6-15(7-9-16)18-17(21-10-11-22-18)14-4-2-13(12-19)3-5-14;17-13-5-1-11(2-6-13)15-16(20-10-9-19-15)12-3-7-14(18)8-4-12;5*1-4(6)3-5(2)7;;;;;/h3-5,7-12H,1-2H3;1-3,5-10H;3-5,7-10H,1-2H3;2-4,6-11H;1-3,5-10H;5*4-7H,3H2,1-2H3;;;;;/q5*-1;;;;;;;;;;.

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

2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-5,6-dimethylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)pyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)pyrazin-2-yl]benzene-5-ide-1-carboxylate;pentakis(pentane-2,4-diol);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine has a molecular weight of 3040.32 g/mol, XLogP of 21.94, 22 rotatable bonds, 10 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)-5,6-dimethylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)pyrazine;pentakis(iridium);4-[3-(4-isocyanophenyl)pyrazin-2-yl]benzene-5-ide-1-carbonitrile;methyl 4-[3-(4-methoxycarbonylphenyl)pyrazin-2-yl]benzene-5-ide-1-carboxylate;pentakis(pentane-2,4-diol);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrazine is sourced from PubChem (CID 158421352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).