2-ethyl-5,6,7,8,10-pentafluoro-1,3,9-trimethylbenzo[g]quinoxalin-1-ium;5-ethyl-2,3,4,9-tetrafluoro-6,8-dimethylthieno[2,3-g]phthalazin-6-ium;8-ethyl-2,3,4,9-tetrafluoro-5,7-dimethylthieno[3,2-g]phthalazin-7-ium;4-ethyl-5,7,8,9-tetrafluoro-2,3-dimethylthieno[2,3-g]quinazolin-3-ium;2-ethyl-5,7,9-trifluoro-1,3,8-trimethylthieno[2,3-g]quinoxalin-1-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium

C₈₉H₇₅F₂₃N₁₂S₅+6 — CID 159322963

About 2-ethyl-5,6,7,8,10-pentafluoro-1,3,9-trimethylbenzo[g]quinoxalin-1-ium;5-ethyl-2,3,4,9-tetrafluoro-6,8-dimethylthieno[2,3-g]phthalazin-6-ium;8-ethyl-2,3,4,9-tetrafluoro-5,7-dimethylthieno[3,2-g]phthalazin-7-ium;4-ethyl-5,7,8,9-tetrafluoro-2,3-dimethylthieno[2,3-g]quinazolin-3-ium;2-ethyl-5,7,9-trifluoro-1,3,8-trimethylthieno[2,3-g]quinoxalin-1-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium

2-ethyl-5,6,7,8,10-pentafluoro-1,3,9-trimethylbenzo[g]quinoxalin-1-ium;5-ethyl-2,3,4,9-tetrafluoro-6,8-dimethylthieno[2,3-g]phthalazin-6-ium;8-ethyl-2,3,4,9-tetrafluoro-5,7-dimethylthieno[3,2-g]phthalazin-7-ium;4-ethyl-5,7,8,9-tetrafluoro-2,3-dimethylthieno[2,3-g]quinazolin-3-ium;2-ethyl-5,7,9-trifluoro-1,3,8-trimethylthieno[2,3-g]quinoxalin-1-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium (PubChem CID 159322963) has the molecular formula C₈₉H₇₅F₂₃N₁₂S₅+6 and a molecular weight of 1909.95 g/mol. Its IUPAC name is 2-ethyl-5,6,7,8,10-pentafluoro-1,3,9-trimethylbenzo[g]quinoxalin-1-ium;5-ethyl-2,3,4,9-tetrafluoro-6,8-dimethylthieno[2,3-g]phthalazin-6-ium;8-ethyl-2,3,4,9-tetrafluoro-5,7-dimethylthieno[3,2-g]phthalazin-7-ium;4-ethyl-5,7,8,9-tetrafluoro-2,3-dimethylthieno[2,3-g]quinazolin-3-ium;2-ethyl-5,7,9-trifluoro-1,3,8-trimethylthieno[2,3-g]quinoxalin-1-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium.

Molecular Properties

• Compound Name: 2-ethyl-5,6,7,8,10-pentafluoro-1,3,9-trimethylbenzo[g]quinoxalin-1-ium;5-ethyl-2,3,4,9-tetrafluoro-6,8-dimethylthieno[2,3-g]phthalazin-6-ium;8-ethyl-2,3,4,9-tetrafluoro-5,7-dimethylthieno[3,2-g]phthalazin-7-ium;4-ethyl-5,7,8,9-tetrafluoro-2,3-dimethylthieno[2,3-g]quinazolin-3-ium;2-ethyl-5,7,9-trifluoro-1,3,8-trimethylthieno[2,3-g]quinoxalin-1-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium
• PubChem CID: 159322963
• Molecular Formula: C₈₉H₇₅F₂₃N₁₂S₅+6
• Molecular Weight: 1909.95 g/mol
• Exact Mass: 1908.44
• IUPAC Name: 2-ethyl-5,6,7,8,10-pentafluoro-1,3,9-trimethylbenzo[g]quinoxalin-1-ium;5-ethyl-2,3,4,9-tetrafluoro-6,8-dimethylthieno[2,3-g]phthalazin-6-ium;8-ethyl-2,3,4,9-tetrafluoro-5,7-dimethylthieno[3,2-g]phthalazin-7-ium;4-ethyl-5,7,8,9-tetrafluoro-2,3-dimethylthieno[2,3-g]quinazolin-3-ium;2-ethyl-5,7,9-trifluoro-1,3,8-trimethylthieno[2,3-g]quinoxalin-1-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium
• SMILES: CCc1c(C)nc2c(F)c3c(F)c(F)c(F)c(C)c3c(F)c2[n+]1C.CCc1c(C)nc2c(F)c3c(F)c(F)sc3c(C)c2[n+]1C.CCc1c(C)nc2c(F)c3sc(F)c(C)c3c(F)c2[n+]1C.CCc1c2c(F)c3c(F)c(F)sc3c(F)c2c(C)n[n+]1C.CCc1c2c(F)c3sc(F)c(F)c3c(F)c2c(C)n[n+]1C.CCc1c2c(F)c3sc(F)c(F)c3c(F)c2nc(C)[n+]1C
• InChI: InChI=1S/C17H14F5N2.2C15H14F3N2S.3C14H11F4N2S/c1-5-8-7(3)23-16-13(20)10-9(14(21)17(16)24(8)4)6(2)11(18)15(22)12(10)19;1-5-8-7(3)19-12-10(16)9-11(17)15(18)21-14(9)6(2)13(12)20(8)4;1-5-8-7(3)19-12-11(17)14-9(6(2)15(18)21-14)10(16)13(12)20(8)4;1-4-6-7-10(16)13-8(11(17)14(18)21-13)9(15)12(7)19-5(2)20(6)3;1-4-6-8-7(5(2)19-20(6)3)11(16)13-9(10(8)15)12(17)14(18)21-13;1-4-6-8-7(5(2)19-20(6)3)10(15)9-12(17)14(18)21-13(9)11(8)16/h5H2,1-4H3;2*5H2,1-4H3;3*4H2,1-3H3/q6*+1
• InChIKey: LOEGOBCMANPPEQ-UHFFFAOYSA-N
• XLogP: 22.93
• TPSA: 100.62 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.95
LogP ≤ 5	22.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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 2-ethyl-5,6,7,8,10-pentafluoro-1,3,9-trimethylbenzo[g]quinoxalin-1-ium;5-ethyl-2,3,4,9-tetrafluoro-6,8-dimethylthieno[2,3-g]phthalazin-6-ium;8-ethyl-2,3,4,9-tetrafluoro-5,7-dimethylthieno[3,2-g]phthalazin-7-ium;4-ethyl-5,7,8,9-tetrafluoro-2,3-dimethylthieno[2,3-g]quinazolin-3-ium;2-ethyl-5,7,9-trifluoro-1,3,8-trimethylthieno[2,3-g]quinoxalin-1-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium?

The IUPAC name of 2-ethyl-5,6,7,8,10-pentafluoro-1,3,9-trimethylbenzo[g]quinoxalin-1-ium;5-ethyl-2,3,4,9-tetrafluoro-6,8-dimethylthieno[2,3-g]phthalazin-6-ium;8-ethyl-2,3,4,9-tetrafluoro-5,7-dimethylthieno[3,2-g]phthalazin-7-ium;4-ethyl-5,7,8,9-tetrafluoro-2,3-dimethylthieno[2,3-g]quinazolin-3-ium;2-ethyl-5,7,9-trifluoro-1,3,8-trimethylthieno[2,3-g]quinoxalin-1-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium (CID 159322963) is 2-ethyl-5,6,7,8,10-pentafluoro-1,3,9-trimethylbenzo[g]quinoxalin-1-ium;5-ethyl-2,3,4,9-tetrafluoro-6,8-dimethylthieno[2,3-g]phthalazin-6-ium;8-ethyl-2,3,4,9-tetrafluoro-5,7-dimethylthieno[3,2-g]phthalazin-7-ium;4-ethyl-5,7,8,9-tetrafluoro-2,3-dimethylthieno[2,3-g]quinazolin-3-ium;2-ethyl-5,7,9-trifluoro-1,3,8-trimethylthieno[2,3-g]quinoxalin-1-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium.

What is the SMILES notation for 2-ethyl-5,6,7,8,10-pentafluoro-1,3,9-trimethylbenzo[g]quinoxalin-1-ium;5-ethyl-2,3,4,9-tetrafluoro-6,8-dimethylthieno[2,3-g]phthalazin-6-ium;8-ethyl-2,3,4,9-tetrafluoro-5,7-dimethylthieno[3,2-g]phthalazin-7-ium;4-ethyl-5,7,8,9-tetrafluoro-2,3-dimethylthieno[2,3-g]quinazolin-3-ium;2-ethyl-5,7,9-trifluoro-1,3,8-trimethylthieno[2,3-g]quinoxalin-1-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium?

The canonical SMILES for 2-ethyl-5,6,7,8,10-pentafluoro-1,3,9-trimethylbenzo[g]quinoxalin-1-ium;5-ethyl-2,3,4,9-tetrafluoro-6,8-dimethylthieno[2,3-g]phthalazin-6-ium;8-ethyl-2,3,4,9-tetrafluoro-5,7-dimethylthieno[3,2-g]phthalazin-7-ium;4-ethyl-5,7,8,9-tetrafluoro-2,3-dimethylthieno[2,3-g]quinazolin-3-ium;2-ethyl-5,7,9-trifluoro-1,3,8-trimethylthieno[2,3-g]quinoxalin-1-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium is CCc1c(C)nc2c(F)c3c(F)c(F)c(F)c(C)c3c(F)c2[n+]1C.CCc1c(C)nc2c(F)c3c(F)c(F)sc3c(C)c2[n+]1C.CCc1c(C)nc2c(F)c3sc(F)c(C)c3c(F)c2[n+]1C.CCc1c2c(F)c3c(F)c(F)sc3c(F)c2c(C)n[n+]1C.CCc1c2c(F)c3sc(F)c(F)c3c(F)c2c(C)n[n+]1C.CCc1c2c(F)c3sc(F)c(F)c3c(F)c2nc(C)[n+]1C.

What is the InChIKey of 2-ethyl-5,6,7,8,10-pentafluoro-1,3,9-trimethylbenzo[g]quinoxalin-1-ium;5-ethyl-2,3,4,9-tetrafluoro-6,8-dimethylthieno[2,3-g]phthalazin-6-ium;8-ethyl-2,3,4,9-tetrafluoro-5,7-dimethylthieno[3,2-g]phthalazin-7-ium;4-ethyl-5,7,8,9-tetrafluoro-2,3-dimethylthieno[2,3-g]quinazolin-3-ium;2-ethyl-5,7,9-trifluoro-1,3,8-trimethylthieno[2,3-g]quinoxalin-1-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium?

The InChIKey is LOEGOBCMANPPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N2.2C15H14F3N2S.3C14H11F4N2S/c1-5-8-7(3)23-16-13(20)10-9(14(21)17(16)24(8)4)6(2)11(18)15(22)12(10)19;1-5-8-7(3)19-12-10(16)9-11(17)15(18)21-14(9)6(2)13(12)20(8)4;1-5-8-7(3)19-12-11(17)14-9(6(2)15(18)21-14)10(16)13(12)20(8)4;1-4-6-7-10(16)13-8(11(17)14(18)21-13)9(15)12(7)19-5(2)20(6)3;1-4-6-8-7(5(2)19-20(6)3)11(16)13-9(10(8)15)12(17)14(18)21-13;1-4-6-8-7(5(2)19-20(6)3)10(15)9-12(17)14(18)21-13(9)11(8)16/h5H2,1-4H3;2*5H2,1-4H3;3*4H2,1-3H3/q6*+1.

What are the key properties of 2-ethyl-5,6,7,8,10-pentafluoro-1,3,9-trimethylbenzo[g]quinoxalin-1-ium;5-ethyl-2,3,4,9-tetrafluoro-6,8-dimethylthieno[2,3-g]phthalazin-6-ium;8-ethyl-2,3,4,9-tetrafluoro-5,7-dimethylthieno[3,2-g]phthalazin-7-ium;4-ethyl-5,7,8,9-tetrafluoro-2,3-dimethylthieno[2,3-g]quinazolin-3-ium;2-ethyl-5,7,9-trifluoro-1,3,8-trimethylthieno[2,3-g]quinoxalin-1-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium?

2-ethyl-5,6,7,8,10-pentafluoro-1,3,9-trimethylbenzo[g]quinoxalin-1-ium;5-ethyl-2,3,4,9-tetrafluoro-6,8-dimethylthieno[2,3-g]phthalazin-6-ium;8-ethyl-2,3,4,9-tetrafluoro-5,7-dimethylthieno[3,2-g]phthalazin-7-ium;4-ethyl-5,7,8,9-tetrafluoro-2,3-dimethylthieno[2,3-g]quinazolin-3-ium;2-ethyl-5,7,9-trifluoro-1,3,8-trimethylthieno[2,3-g]quinoxalin-1-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium has a molecular weight of 1909.95 g/mol, XLogP of 22.93, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-5,6,7,8,10-pentafluoro-1,3,9-trimethylbenzo[g]quinoxalin-1-ium;5-ethyl-2,3,4,9-tetrafluoro-6,8-dimethylthieno[2,3-g]phthalazin-6-ium;8-ethyl-2,3,4,9-tetrafluoro-5,7-dimethylthieno[3,2-g]phthalazin-7-ium;4-ethyl-5,7,8,9-tetrafluoro-2,3-dimethylthieno[2,3-g]quinazolin-3-ium;2-ethyl-5,7,9-trifluoro-1,3,8-trimethylthieno[2,3-g]quinoxalin-1-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium is sourced from PubChem (CID 159322963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159322963 — identifiers, structure, computed properties (public domain)

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