2-[2-(1,1-dideuterioethyl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium;2-(1-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(2-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-2-[3,9,9-trimethyl-1-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium

C95H102N4+4 — CID 159792339

About 2-[2-(1,1-dideuterioethyl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium;2-(1-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(2-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-2-[3,9,9-trimethyl-1-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium

2-[2-(1,1-dideuterioethyl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium;2-(1-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(2-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-2-[3,9,9-trimethyl-1-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium (PubChem CID 159792339) has the molecular formula C95H102N4+4 and a molecular weight of 1304.92 g/mol. Its IUPAC name is 2-[2-(1,1-dideuterioethyl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium;2-(1-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(2-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-2-[3,9,9-trimethyl-1-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium.

Molecular Properties

• Compound Name: 2-[2-(1,1-dideuterioethyl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium;2-(1-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(2-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-2-[3,9,9-trimethyl-1-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium
• PubChem CID: 159792339
• Molecular Formula: C95H102N4+4
• Molecular Weight: 1304.92 g/mol
• Exact Mass: 1303.84
• IUPAC Name: 2-[2-(1,1-dideuterioethyl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium;2-(1-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(2-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-2-[3,9,9-trimethyl-1-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium
• SMILES: CCc1cc(C)c(-c2cccc[n+]2C)c2c1C(C)(C)c1ccccc1-2.CCc1cc2c(c(-c3cccc[n+]3C)c1C)-c1ccccc1C2(C)C.[2H]C([2H])(C)c1cc2c(c(-c3cccc[n+]3C)c1C)-c1ccccc1C2(C)C.[2H]C([2H])([2H])c1cc(C)c(-c2cccc[n+]2C)c2c1C(C)(C)c1ccccc1-2
• InChI: InChI=1S/3C24H26N.C23H24N/c2*1-6-17-15-20-23(18-11-7-8-12-19(18)24(20,3)4)22(16(17)2)21-13-9-10-14-25(21)5;1-6-17-15-16(2)21(20-13-9-10-14-25(20)5)22-18-11-7-8-12-19(18)24(3,4)23(17)22;1-15-14-16(2)22-21(20(15)19-12-8-9-13-24(19)5)17-10-6-7-11-18(17)23(22,3)4/h3*7-15H,6H2,1-5H3;6-14H,1-5H3/q4*+1/i6D2;;;2D3
• InChIKey: ZHQCTBLEVGISGK-RZGZVNSMSA-N
• XLogP: 21.17
• TPSA: 15.52 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1304.92
LogP ≤ 5	21.17
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 2-[2-(1,1-dideuterioethyl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium;2-(1-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(2-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-2-[3,9,9-trimethyl-1-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium?

The IUPAC name of 2-[2-(1,1-dideuterioethyl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium;2-(1-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(2-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-2-[3,9,9-trimethyl-1-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium (CID 159792339) is 2-[2-(1,1-dideuterioethyl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium;2-(1-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(2-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-2-[3,9,9-trimethyl-1-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium.

What is the SMILES notation for 2-[2-(1,1-dideuterioethyl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium;2-(1-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(2-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-2-[3,9,9-trimethyl-1-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium?

The canonical SMILES for 2-[2-(1,1-dideuterioethyl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium;2-(1-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(2-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-2-[3,9,9-trimethyl-1-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium is CCc1cc(C)c(-c2cccc[n+]2C)c2c1C(C)(C)c1ccccc1-2.CCc1cc2c(c(-c3cccc[n+]3C)c1C)-c1ccccc1C2(C)C.[2H]C([2H])(C)c1cc2c(c(-c3cccc[n+]3C)c1C)-c1ccccc1C2(C)C.[2H]C([2H])([2H])c1cc(C)c(-c2cccc[n+]2C)c2c1C(C)(C)c1ccccc1-2.

What is the InChIKey of 2-[2-(1,1-dideuterioethyl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium;2-(1-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(2-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-2-[3,9,9-trimethyl-1-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium?

The InChIKey is ZHQCTBLEVGISGK-RZGZVNSMSA-N. The full InChI is InChI=1S/3C24H26N.C23H24N/c2*1-6-17-15-20-23(18-11-7-8-12-19(18)24(20,3)4)22(16(17)2)21-13-9-10-14-25(21)5;1-6-17-15-16(2)21(20-13-9-10-14-25(20)5)22-18-11-7-8-12-19(18)24(3,4)23(17)22;1-15-14-16(2)22-21(20(15)19-12-8-9-13-24(19)5)17-10-6-7-11-18(17)23(22,3)4/h3*7-15H,6H2,1-5H3;6-14H,1-5H3/q4*+1/i6D2;;;2D3.

What are the key properties of 2-[2-(1,1-dideuterioethyl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium;2-(1-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(2-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-2-[3,9,9-trimethyl-1-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium?

2-[2-(1,1-dideuterioethyl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium;2-(1-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(2-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-2-[3,9,9-trimethyl-1-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium has a molecular weight of 1304.92 g/mol, XLogP of 21.17, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1,1-dideuterioethyl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium;2-(1-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;2-(2-ethyl-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium;1-methyl-2-[3,9,9-trimethyl-1-(trideuteriomethyl)fluoren-4-yl]pyridin-1-ium is sourced from PubChem (CID 159792339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).