5-deuterio-2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3,6-dimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(1,9,9-trifluoro-3,6-dimethylfluoren-4-yl)pyridin-1-ium

C103H84F12N5+5 — CID 160583391

About 5-deuterio-2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3,6-dimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(1,9,9-trifluoro-3,6-dimethylfluoren-4-yl)pyridin-1-ium

5-deuterio-2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3,6-dimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(1,9,9-trifluoro-3,6-dimethylfluoren-4-yl)pyridin-1-ium (PubChem CID 160583391) has the molecular formula C103H84F12N5+5 and a molecular weight of 1623.84 g/mol. Its IUPAC name is 5-deuterio-2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3,6-dimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(1,9,9-trifluoro-3,6-dimethylfluoren-4-yl)pyridin-1-ium.

Molecular Properties

• Compound Name: 5-deuterio-2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3,6-dimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(1,9,9-trifluoro-3,6-dimethylfluoren-4-yl)pyridin-1-ium
• PubChem CID: 160583391
• Molecular Formula: C103H84F12N5+5
• Molecular Weight: 1623.84 g/mol
• Exact Mass: 1622.68
• IUPAC Name: 5-deuterio-2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3,6-dimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(1,9,9-trifluoro-3,6-dimethylfluoren-4-yl)pyridin-1-ium
• SMILES: Cc1ccc2c(c1)-c1c(-c3cccc[n+]3C)c(C)cc(F)c1C2(F)F.Cc1ccc2c(c1)-c1c(ccc(C)c1-c1cccc[n+]1C)C2(F)F.Cc1ccc2c(c1-c1ccc(F)c[n+]1C)-c1ccccc1C2(F)F.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2-c2ccccc2C3(F)F)[n+](C)c1.[2H]c1ccc(-c2c(C)ccc3c2-c2ccccc2C3(F)F)[n+](C)c1
• InChI: InChI=1S/C21H17F3N.2C21H18F2N.C20H15F3N.C20H16F2N/c1-12-7-8-15-14(10-12)19-18(17-6-4-5-9-25(17)3)13(2)11-16(22)20(19)21(15,23)24;1-13-7-9-16-15(12-13)20-17(21(16,22)23)10-8-14(2)19(20)18-6-4-5-11-24(18)3;1-13-8-11-18(24(3)12-13)19-14(2)9-10-17-20(19)15-6-4-5-7-16(15)21(17,22)23;1-12-7-9-16-19(14-5-3-4-6-15(14)20(16,22)23)18(12)17-10-8-13(21)11-24(17)2;1-13-10-11-16-19(18(13)17-9-5-6-12-23(17)2)14-7-3-4-8-15(14)20(16,21)22/h4-11H,1-3H3;2*4-12H,1-3H3;3-11H,1-2H3;3-12H,1-2H3/q5*+1/i;;1D3;;6D
• InChIKey: GUQGYOUXRYLLFI-XWEZYXTESA-N
• XLogP: 24.24
• TPSA: 19.40 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1623.84
LogP ≤ 5	24.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3,6-dimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(1,9,9-trifluoro-3,6-dimethylfluoren-4-yl)pyridin-1-ium?

The IUPAC name of 5-deuterio-2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3,6-dimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(1,9,9-trifluoro-3,6-dimethylfluoren-4-yl)pyridin-1-ium (CID 160583391) is 5-deuterio-2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3,6-dimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(1,9,9-trifluoro-3,6-dimethylfluoren-4-yl)pyridin-1-ium.

What is the SMILES notation for 5-deuterio-2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3,6-dimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(1,9,9-trifluoro-3,6-dimethylfluoren-4-yl)pyridin-1-ium?

The canonical SMILES for 5-deuterio-2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3,6-dimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(1,9,9-trifluoro-3,6-dimethylfluoren-4-yl)pyridin-1-ium is Cc1ccc2c(c1)-c1c(-c3cccc[n+]3C)c(C)cc(F)c1C2(F)F.Cc1ccc2c(c1)-c1c(ccc(C)c1-c1cccc[n+]1C)C2(F)F.Cc1ccc2c(c1-c1ccc(F)c[n+]1C)-c1ccccc1C2(F)F.[2H]C([2H])([2H])c1ccc(-c2c(C)ccc3c2-c2ccccc2C3(F)F)[n+](C)c1.[2H]c1ccc(-c2c(C)ccc3c2-c2ccccc2C3(F)F)[n+](C)c1.

What is the InChIKey of 5-deuterio-2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3,6-dimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(1,9,9-trifluoro-3,6-dimethylfluoren-4-yl)pyridin-1-ium?

The InChIKey is GUQGYOUXRYLLFI-XWEZYXTESA-N. The full InChI is InChI=1S/C21H17F3N.2C21H18F2N.C20H15F3N.C20H16F2N/c1-12-7-8-15-14(10-12)19-18(17-6-4-5-9-25(17)3)13(2)11-16(22)20(19)21(15,23)24;1-13-7-9-16-15(12-13)20-17(21(16,22)23)10-8-14(2)19(20)18-6-4-5-11-24(18)3;1-13-8-11-18(24(3)12-13)19-14(2)9-10-17-20(19)15-6-4-5-7-16(15)21(17,22)23;1-12-7-9-16-19(14-5-3-4-6-15(14)20(16,22)23)18(12)17-10-8-13(21)11-24(17)2;1-13-10-11-16-19(18(13)17-9-5-6-12-23(17)2)14-7-3-4-8-15(14)20(16,21)22/h4-11H,1-3H3;2*4-12H,1-3H3;3-11H,1-2H3;3-12H,1-2H3/q5*+1/i;;1D3;;6D.

What are the key properties of 5-deuterio-2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3,6-dimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(1,9,9-trifluoro-3,6-dimethylfluoren-4-yl)pyridin-1-ium?

5-deuterio-2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3,6-dimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(1,9,9-trifluoro-3,6-dimethylfluoren-4-yl)pyridin-1-ium has a molecular weight of 1623.84 g/mol, XLogP of 24.24, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-deuterio-2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3,6-dimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-4-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(1,9,9-trifluoro-3,6-dimethylfluoren-4-yl)pyridin-1-ium is sourced from PubChem (CID 160583391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).