1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium

C149H129F6N10O4+5 — CID 159265207

About 1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium

1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium (PubChem CID 159265207) has the molecular formula C149H129F6N10O4+5 and a molecular weight of 2237.72 g/mol. Its IUPAC name is 1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium.

Molecular Properties

• Compound Name: 1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium
• PubChem CID: 159265207
• Molecular Formula: C149H129F6N10O4+5
• Molecular Weight: 2237.72 g/mol
• Exact Mass: 2236.01
• IUPAC Name: 1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium
• SMILES: COc1ccc(-c2c(-c3ccc(CO)cc3)nc(-c3ccccc3)c[n+]2C)c(C)c1.COc1ccccc1-c1nc(-c2ccccc2)c[n+](C)c1-c1c(C)cccc1CO.Cc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)c[n+](C)c2-c2ccc(C(F)(F)F)cc2C)cc1.Cc1ccc(-c2nc(-c3ccccc3)c[n+](C)c2-c2ccc(C)cc2C)cc1.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c(C)[n+]1C
• InChI: InChI=1S/C44H33N2.C27H21F6N2.2C26H25N2O2.C26H25N2/c1-28-15-7-8-18-32(28)43-42(30-16-5-4-6-17-30)45-41(29(2)46(43)3)31-25-26-36-35-21-11-14-24-39(35)44(40(36)27-31)37-22-12-9-19-33(37)34-20-10-13-23-38(34)44;1-16-4-6-19(7-5-16)24-25(22-13-12-21(14-17(22)2)27(31,32)33)35(3)15-23(34-24)18-8-10-20(11-9-18)26(28,29)30;1-18-10-9-13-20(17-29)24(18)26-25(21-14-7-8-15-23(21)30-3)27-22(16-28(26)2)19-11-5-4-6-12-19;1-18-15-22(30-3)13-14-23(18)26-25(21-11-9-19(17-29)10-12-21)27-24(16-28(26)2)20-7-5-4-6-8-20;1-18-10-13-22(14-11-18)25-26(23-15-12-19(2)16-20(23)3)28(4)17-24(27-25)21-8-6-5-7-9-21/h4-27H,1-3H3;4-15H,1-3H3;2*4-16,29H,17H2,1-3H3;5-17H,1-4H3/q5*+1
• InChIKey: NKCCACVPLBUXBT-UHFFFAOYSA-N
• XLogP: 32.69
• TPSA: 142.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2237.72
LogP ≤ 5	32.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium?

The IUPAC name of 1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium (CID 159265207) is 1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium.

What is the SMILES notation for 1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium?

The canonical SMILES for 1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium is COc1ccc(-c2c(-c3ccc(CO)cc3)nc(-c3ccccc3)c[n+]2C)c(C)c1.COc1ccccc1-c1nc(-c2ccccc2)c[n+](C)c1-c1c(C)cccc1CO.Cc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)c[n+](C)c2-c2ccc(C(F)(F)F)cc2C)cc1.Cc1ccc(-c2nc(-c3ccccc3)c[n+](C)c2-c2ccc(C)cc2C)cc1.Cc1ccccc1-c1c(-c2ccccc2)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c(C)[n+]1C.

What is the InChIKey of 1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium?

The InChIKey is NKCCACVPLBUXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N2.C27H21F6N2.2C26H25N2O2.C26H25N2/c1-28-15-7-8-18-32(28)43-42(30-16-5-4-6-17-30)45-41(29(2)46(43)3)31-25-26-36-35-21-11-14-24-39(35)44(40(36)27-31)37-22-12-9-19-33(37)34-20-10-13-23-38(34)44;1-16-4-6-19(7-5-16)24-25(22-13-12-21(14-17(22)2)27(31,32)33)35(3)15-23(34-24)18-8-10-20(11-9-18)26(28,29)30;1-18-10-9-13-20(17-29)24(18)26-25(21-14-7-8-15-23(21)30-3)27-22(16-28(26)2)19-11-5-4-6-12-19;1-18-15-22(30-3)13-14-23(18)26-25(21-11-9-19(17-29)10-12-21)27-24(16-28(26)2)20-7-5-4-6-8-20;1-18-10-13-22(14-11-18)25-26(23-15-12-19(2)16-20(23)3)28(4)17-24(27-25)21-8-6-5-7-9-21/h4-27H,1-3H3;4-15H,1-3H3;2*4-16,29H,17H2,1-3H3;5-17H,1-4H3/q5*+1.

What are the key properties of 1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium?

1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium has a molecular weight of 2237.72 g/mol, XLogP of 32.69, 19 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium is sourced from PubChem (CID 159265207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).