5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium

C179H138F12N12+6 — CID 158376889

About 5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium

5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium (PubChem CID 158376889) has the molecular formula C179H138F12N12+6 and a molecular weight of 2685.13 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium.

Molecular Properties

• Compound Name: 5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium
• PubChem CID: 158376889
• Molecular Formula: C179H138F12N12+6
• Molecular Weight: 2685.13 g/mol
• Exact Mass: 2683.09
• IUPAC Name: 5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium
• SMILES: Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc(-c3ccccc3)cc2)c[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc3ccccc3c2)c[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2cccc(-c3ccccc3)c2)c[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2cccc3ccccc23)c[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccccc2-c2ccccc2)c[n+]1C
• InChI: InChI=1S/C33H27F2N2.3C30H23F2N2.2C28H21F2N2/c1-20-17-24(35)14-16-25(20)32-31(21-9-12-23(34)13-10-21)36-30(19-37(32)4)22-11-15-27-26-7-5-6-8-28(26)33(2,3)29(27)18-22;1-20-18-24(32)16-17-25(20)30-29(22-12-14-23(31)15-13-22)33-28(19-34(30)2)27-11-7-6-10-26(27)21-8-4-3-5-9-21;1-20-17-26(32)15-16-27(20)30-29(22-11-13-25(31)14-12-22)33-28(19-34(30)2)24-10-6-9-23(18-24)21-7-4-3-5-8-21;1-20-18-26(32)16-17-27(20)30-29(24-12-14-25(31)15-13-24)33-28(19-34(30)2)23-10-8-22(9-11-23)21-6-4-3-5-7-21;1-18-16-22(30)14-15-23(18)28-27(20-10-12-21(29)13-11-20)31-26(17-32(28)2)25-9-5-7-19-6-3-4-8-24(19)25;1-18-15-24(30)13-14-25(18)28-27(20-9-11-23(29)12-10-20)31-26(17-32(28)2)22-8-7-19-5-3-4-6-21(19)16-22/h5-19H,1-4H3;3*3-19H,1-2H3;2*3-17H,1-2H3/q6*+1
• InChIKey: CWFVCGGUJMIAFH-UHFFFAOYSA-N
• XLogP: 42.58
• TPSA: 100.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 21
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2685.13
LogP ≤ 5	42.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium?

The IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium (CID 158376889) is 5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium.

What is the SMILES notation for 5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium?

The canonical SMILES for 5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium is Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc(-c3ccccc3)cc2)c[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc3ccccc3c2)c[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2cccc(-c3ccccc3)c2)c[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2cccc3ccccc23)c[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccccc2-c2ccccc2)c[n+]1C.

What is the InChIKey of 5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium?

The InChIKey is CWFVCGGUJMIAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27F2N2.3C30H23F2N2.2C28H21F2N2/c1-20-17-24(35)14-16-25(20)32-31(21-9-12-23(34)13-10-21)36-30(19-37(32)4)22-11-15-27-26-7-5-6-8-28(26)33(2,3)29(27)18-22;1-20-18-24(32)16-17-25(20)30-29(22-12-14-23(31)15-13-22)33-28(19-34(30)2)27-11-7-6-10-26(27)21-8-4-3-5-9-21;1-20-17-26(32)15-16-27(20)30-29(22-11-13-25(31)14-12-22)33-28(19-34(30)2)24-10-6-9-23(18-24)21-7-4-3-5-8-21;1-20-18-26(32)16-17-27(20)30-29(24-12-14-25(31)15-13-24)33-28(19-34(30)2)23-10-8-22(9-11-23)21-6-4-3-5-7-21;1-18-16-22(30)14-15-23(18)28-27(20-10-12-21(29)13-11-20)31-26(17-32(28)2)25-9-5-7-19-6-3-4-8-24(19)25;1-18-15-24(30)13-14-25(18)28-27(20-9-11-23(29)12-10-20)31-26(17-32(28)2)22-8-7-19-5-3-4-6-21(19)16-22/h5-19H,1-4H3;3*3-19H,1-2H3;2*3-17H,1-2H3/q6*+1.

What are the key properties of 5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium?

5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium has a molecular weight of 2685.13 g/mol, XLogP of 42.58, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium is sourced from PubChem (CID 158376889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).