1-ethyl-6,8-difluoro-2,4,5,7-tetramethylphthalazin-2-ium;4-ethyl-5,7-difluoro-3,6,8-trimethylquinazolin-3-ium;1-ethyl-6,8-difluoro-2,5,7-trimethyl-4-(trifluoromethyl)phthalazin-2-ium;4-ethyl-2,3-dimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5-fluoro-3,10-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-fluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylbenzo[g]quinazolin-3-ium;3-ethyl-5,7,8-trifluoro-2,4,6-trimethylthieno[2,3-f]quinoxalin-4-ium

C124H124F24N16S+8 — CID 157097927

About 1-ethyl-6,8-difluoro-2,4,5,7-tetramethylphthalazin-2-ium;4-ethyl-5,7-difluoro-3,6,8-trimethylquinazolin-3-ium;1-ethyl-6,8-difluoro-2,5,7-trimethyl-4-(trifluoromethyl)phthalazin-2-ium;4-ethyl-2,3-dimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5-fluoro-3,10-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-fluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylbenzo[g]quinazolin-3-ium;3-ethyl-5,7,8-trifluoro-2,4,6-trimethylthieno[2,3-f]quinoxalin-4-ium

1-ethyl-6,8-difluoro-2,4,5,7-tetramethylphthalazin-2-ium;4-ethyl-5,7-difluoro-3,6,8-trimethylquinazolin-3-ium;1-ethyl-6,8-difluoro-2,5,7-trimethyl-4-(trifluoromethyl)phthalazin-2-ium;4-ethyl-2,3-dimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5-fluoro-3,10-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-fluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylbenzo[g]quinazolin-3-ium;3-ethyl-5,7,8-trifluoro-2,4,6-trimethylthieno[2,3-f]quinoxalin-4-ium (PubChem CID 157097927) has the molecular formula C124H124F24N16S+8 and a molecular weight of 2326.49 g/mol. Its IUPAC name is 1-ethyl-6,8-difluoro-2,4,5,7-tetramethylphthalazin-2-ium;4-ethyl-5,7-difluoro-3,6,8-trimethylquinazolin-3-ium;1-ethyl-6,8-difluoro-2,5,7-trimethyl-4-(trifluoromethyl)phthalazin-2-ium;4-ethyl-2,3-dimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5-fluoro-3,10-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-fluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylbenzo[g]quinazolin-3-ium;3-ethyl-5,7,8-trifluoro-2,4,6-trimethylthieno[2,3-f]quinoxalin-4-ium.

Molecular Properties

• Compound Name: 1-ethyl-6,8-difluoro-2,4,5,7-tetramethylphthalazin-2-ium;4-ethyl-5,7-difluoro-3,6,8-trimethylquinazolin-3-ium;1-ethyl-6,8-difluoro-2,5,7-trimethyl-4-(trifluoromethyl)phthalazin-2-ium;4-ethyl-2,3-dimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5-fluoro-3,10-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-fluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylbenzo[g]quinazolin-3-ium;3-ethyl-5,7,8-trifluoro-2,4,6-trimethylthieno[2,3-f]quinoxalin-4-ium
• PubChem CID: 157097927
• Molecular Formula: C124H124F24N16S+8
• Molecular Weight: 2326.49 g/mol
• Exact Mass: 2324.95
• IUPAC Name: 1-ethyl-6,8-difluoro-2,4,5,7-tetramethylphthalazin-2-ium;4-ethyl-5,7-difluoro-3,6,8-trimethylquinazolin-3-ium;1-ethyl-6,8-difluoro-2,5,7-trimethyl-4-(trifluoromethyl)phthalazin-2-ium;4-ethyl-2,3-dimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5-fluoro-3,10-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-fluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylbenzo[g]quinazolin-3-ium;3-ethyl-5,7,8-trifluoro-2,4,6-trimethylthieno[2,3-f]quinoxalin-4-ium
• SMILES: CCc1c(C)nc2c3sc(F)c(F)c3c(C)c(F)c2[n+]1C.CCc1c2c(F)c(C)c(F)c(C)c2c(C(F)(F)F)n[n+]1C.CCc1c2c(F)c(C)c(F)c(C)c2c(C)n[n+]1C.CCc1c2c(F)c(C)c(F)c(C)c2nc[n+]1C.CCc1c2c(F)c3ccccc3c(C)c2nc[n+]1C.CCc1c2cc3ccccc3c(C(F)(C(F)(F)F)C(F)(F)F)c2nc(C)[n+]1C.CCc1c2cc3ccccc3c(C(F)(F)F)c2nc(C)[n+]1C.CCc1c2cc3ccccc3c(F)c2nc(C)[n+]1C
• InChI: InChI=1S/C19H16F7N2.C17H16F3N2.2C16H16FN2.C15H14F3N2S.C14H14F5N2.C14H17F2N2.C13H15F2N2/c1-4-14-13-9-11-7-5-6-8-12(11)15(16(13)27-10(2)28(14)3)17(20,18(21,22)23)19(24,25)26;1-4-14-13-9-11-7-5-6-8-12(11)15(17(18,19)20)16(13)21-10(2)22(14)3;1-4-13-14-15(17)12-8-6-5-7-11(12)10(2)16(14)18-9-19(13)3;1-4-14-13-9-11-7-5-6-8-12(11)15(17)16(13)18-10(2)19(14)3;1-5-8-7(3)19-12-13(20(8)4)10(16)6(2)9-11(17)15(18)21-14(9)12;1-5-8-10-9(6(2)11(15)7(3)12(10)16)13(14(17,18)19)20-21(8)4;1-6-10-12-11(9(4)17-18(10)5)7(2)13(15)8(3)14(12)16;1-5-9-10-12(15)7(2)11(14)8(3)13(10)16-6-17(9)4/h5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;2*5-9H,4H2,1-3H3;2*5H2,1-4H3;6H2,1-5H3;6H,5H2,1-4H3/q8*+1
• InChIKey: FGRYYSVGGBDFJT-UHFFFAOYSA-N
• XLogP: 28.67
• TPSA: 134.16 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2326.49
LogP ≤ 5	28.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,8-difluoro-2,4,5,7-tetramethylphthalazin-2-ium;4-ethyl-5,7-difluoro-3,6,8-trimethylquinazolin-3-ium;1-ethyl-6,8-difluoro-2,5,7-trimethyl-4-(trifluoromethyl)phthalazin-2-ium;4-ethyl-2,3-dimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5-fluoro-3,10-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-fluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylbenzo[g]quinazolin-3-ium;3-ethyl-5,7,8-trifluoro-2,4,6-trimethylthieno[2,3-f]quinoxalin-4-ium?

The IUPAC name of 1-ethyl-6,8-difluoro-2,4,5,7-tetramethylphthalazin-2-ium;4-ethyl-5,7-difluoro-3,6,8-trimethylquinazolin-3-ium;1-ethyl-6,8-difluoro-2,5,7-trimethyl-4-(trifluoromethyl)phthalazin-2-ium;4-ethyl-2,3-dimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5-fluoro-3,10-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-fluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylbenzo[g]quinazolin-3-ium;3-ethyl-5,7,8-trifluoro-2,4,6-trimethylthieno[2,3-f]quinoxalin-4-ium (CID 157097927) is 1-ethyl-6,8-difluoro-2,4,5,7-tetramethylphthalazin-2-ium;4-ethyl-5,7-difluoro-3,6,8-trimethylquinazolin-3-ium;1-ethyl-6,8-difluoro-2,5,7-trimethyl-4-(trifluoromethyl)phthalazin-2-ium;4-ethyl-2,3-dimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5-fluoro-3,10-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-fluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylbenzo[g]quinazolin-3-ium;3-ethyl-5,7,8-trifluoro-2,4,6-trimethylthieno[2,3-f]quinoxalin-4-ium.

What is the SMILES notation for 1-ethyl-6,8-difluoro-2,4,5,7-tetramethylphthalazin-2-ium;4-ethyl-5,7-difluoro-3,6,8-trimethylquinazolin-3-ium;1-ethyl-6,8-difluoro-2,5,7-trimethyl-4-(trifluoromethyl)phthalazin-2-ium;4-ethyl-2,3-dimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5-fluoro-3,10-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-fluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylbenzo[g]quinazolin-3-ium;3-ethyl-5,7,8-trifluoro-2,4,6-trimethylthieno[2,3-f]quinoxalin-4-ium?

The canonical SMILES for 1-ethyl-6,8-difluoro-2,4,5,7-tetramethylphthalazin-2-ium;4-ethyl-5,7-difluoro-3,6,8-trimethylquinazolin-3-ium;1-ethyl-6,8-difluoro-2,5,7-trimethyl-4-(trifluoromethyl)phthalazin-2-ium;4-ethyl-2,3-dimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5-fluoro-3,10-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-fluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylbenzo[g]quinazolin-3-ium;3-ethyl-5,7,8-trifluoro-2,4,6-trimethylthieno[2,3-f]quinoxalin-4-ium is CCc1c(C)nc2c3sc(F)c(F)c3c(C)c(F)c2[n+]1C.CCc1c2c(F)c(C)c(F)c(C)c2c(C(F)(F)F)n[n+]1C.CCc1c2c(F)c(C)c(F)c(C)c2c(C)n[n+]1C.CCc1c2c(F)c(C)c(F)c(C)c2nc[n+]1C.CCc1c2c(F)c3ccccc3c(C)c2nc[n+]1C.CCc1c2cc3ccccc3c(C(F)(C(F)(F)F)C(F)(F)F)c2nc(C)[n+]1C.CCc1c2cc3ccccc3c(C(F)(F)F)c2nc(C)[n+]1C.CCc1c2cc3ccccc3c(F)c2nc(C)[n+]1C.

What is the InChIKey of 1-ethyl-6,8-difluoro-2,4,5,7-tetramethylphthalazin-2-ium;4-ethyl-5,7-difluoro-3,6,8-trimethylquinazolin-3-ium;1-ethyl-6,8-difluoro-2,5,7-trimethyl-4-(trifluoromethyl)phthalazin-2-ium;4-ethyl-2,3-dimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5-fluoro-3,10-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-fluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylbenzo[g]quinazolin-3-ium;3-ethyl-5,7,8-trifluoro-2,4,6-trimethylthieno[2,3-f]quinoxalin-4-ium?

The InChIKey is FGRYYSVGGBDFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F7N2.C17H16F3N2.2C16H16FN2.C15H14F3N2S.C14H14F5N2.C14H17F2N2.C13H15F2N2/c1-4-14-13-9-11-7-5-6-8-12(11)15(16(13)27-10(2)28(14)3)17(20,18(21,22)23)19(24,25)26;1-4-14-13-9-11-7-5-6-8-12(11)15(17(18,19)20)16(13)21-10(2)22(14)3;1-4-13-14-15(17)12-8-6-5-7-11(12)10(2)16(14)18-9-19(13)3;1-4-14-13-9-11-7-5-6-8-12(11)15(17)16(13)18-10(2)19(14)3;1-5-8-7(3)19-12-13(20(8)4)10(16)6(2)9-11(17)15(18)21-14(9)12;1-5-8-10-9(6(2)11(15)7(3)12(10)16)13(14(17,18)19)20-21(8)4;1-6-10-12-11(9(4)17-18(10)5)7(2)13(15)8(3)14(12)16;1-5-9-10-12(15)7(2)11(14)8(3)13(10)16-6-17(9)4/h5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;2*5-9H,4H2,1-3H3;2*5H2,1-4H3;6H2,1-5H3;6H,5H2,1-4H3/q8*+1.

What are the key properties of 1-ethyl-6,8-difluoro-2,4,5,7-tetramethylphthalazin-2-ium;4-ethyl-5,7-difluoro-3,6,8-trimethylquinazolin-3-ium;1-ethyl-6,8-difluoro-2,5,7-trimethyl-4-(trifluoromethyl)phthalazin-2-ium;4-ethyl-2,3-dimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5-fluoro-3,10-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-fluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylbenzo[g]quinazolin-3-ium;3-ethyl-5,7,8-trifluoro-2,4,6-trimethylthieno[2,3-f]quinoxalin-4-ium?

1-ethyl-6,8-difluoro-2,4,5,7-tetramethylphthalazin-2-ium;4-ethyl-5,7-difluoro-3,6,8-trimethylquinazolin-3-ium;1-ethyl-6,8-difluoro-2,5,7-trimethyl-4-(trifluoromethyl)phthalazin-2-ium;4-ethyl-2,3-dimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5-fluoro-3,10-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-fluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylbenzo[g]quinazolin-3-ium;3-ethyl-5,7,8-trifluoro-2,4,6-trimethylthieno[2,3-f]quinoxalin-4-ium has a molecular weight of 2326.49 g/mol, XLogP of 28.67, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-6,8-difluoro-2,4,5,7-tetramethylphthalazin-2-ium;4-ethyl-5,7-difluoro-3,6,8-trimethylquinazolin-3-ium;1-ethyl-6,8-difluoro-2,5,7-trimethyl-4-(trifluoromethyl)phthalazin-2-ium;4-ethyl-2,3-dimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium;4-ethyl-5-fluoro-3,10-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-fluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-10-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylbenzo[g]quinazolin-3-ium;3-ethyl-5,7,8-trifluoro-2,4,6-trimethylthieno[2,3-f]quinoxalin-4-ium is sourced from PubChem (CID 157097927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).