4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[g]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;1-ethyl-5,6,7,8-tetrafluoro-2,4-dimethylphthalazin-2-ium;4-ethyl-5,6,7,8-tetrafluoro-2,3-dimethylquinazolin-3-ium;4-ethyl-5,6,7,9-tetrafluoro-2,3-dimethylthieno[3,2-g]quinazolin-3-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethylquinoxalin-1-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethyl-4-(trifluoromethyl)quinolin-1-ium

C98H83F33N13S+7 — CID 161081526

About 4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[g]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;1-ethyl-5,6,7,8-tetrafluoro-2,4-dimethylphthalazin-2-ium;4-ethyl-5,6,7,8-tetrafluoro-2,3-dimethylquinazolin-3-ium;4-ethyl-5,6,7,9-tetrafluoro-2,3-dimethylthieno[3,2-g]quinazolin-3-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethylquinoxalin-1-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethyl-4-(trifluoromethyl)quinolin-1-ium

4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[g]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;1-ethyl-5,6,7,8-tetrafluoro-2,4-dimethylphthalazin-2-ium;4-ethyl-5,6,7,8-tetrafluoro-2,3-dimethylquinazolin-3-ium;4-ethyl-5,6,7,9-tetrafluoro-2,3-dimethylthieno[3,2-g]quinazolin-3-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethylquinoxalin-1-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethyl-4-(trifluoromethyl)quinolin-1-ium (PubChem CID 161081526) has the molecular formula C98H83F33N13S+7 and a molecular weight of 2101.83 g/mol. Its IUPAC name is 4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[g]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;1-ethyl-5,6,7,8-tetrafluoro-2,4-dimethylphthalazin-2-ium;4-ethyl-5,6,7,8-tetrafluoro-2,3-dimethylquinazolin-3-ium;4-ethyl-5,6,7,9-tetrafluoro-2,3-dimethylthieno[3,2-g]quinazolin-3-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethylquinoxalin-1-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethyl-4-(trifluoromethyl)quinolin-1-ium.

Molecular Properties

• Compound Name: 4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[g]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;1-ethyl-5,6,7,8-tetrafluoro-2,4-dimethylphthalazin-2-ium;4-ethyl-5,6,7,8-tetrafluoro-2,3-dimethylquinazolin-3-ium;4-ethyl-5,6,7,9-tetrafluoro-2,3-dimethylthieno[3,2-g]quinazolin-3-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethylquinoxalin-1-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethyl-4-(trifluoromethyl)quinolin-1-ium
• PubChem CID: 161081526
• Molecular Formula: C98H83F33N13S+7
• Molecular Weight: 2101.83 g/mol
• Exact Mass: 2100.60
• IUPAC Name: 4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[g]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;1-ethyl-5,6,7,8-tetrafluoro-2,4-dimethylphthalazin-2-ium;4-ethyl-5,6,7,8-tetrafluoro-2,3-dimethylquinazolin-3-ium;4-ethyl-5,6,7,9-tetrafluoro-2,3-dimethylthieno[3,2-g]quinazolin-3-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethylquinoxalin-1-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethyl-4-(trifluoromethyl)quinolin-1-ium
• SMILES: CCc1c(C)c(C(F)(F)F)c2c(F)c(F)c(F)c(C)c2[n+]1C.CCc1c(C)nc2c(F)c(F)c(F)c(C)c2[n+]1C.CCc1c2c(F)c(F)c(F)c(F)c2c(C)n[n+]1C.CCc1c2c(F)c(F)c(F)c(F)c2nc(C)[n+]1C.CCc1c2c(F)c3c(F)c(F)c(F)c(F)c3c(F)c2c(C)n[n+]1C.CCc1c2c(F)c3c(F)c(F)c(F)c(F)c3c(F)c2nc(C)[n+]1C.CCc1c2c(F)c3c(F)c(F)sc3c(F)c2nc(C)[n+]1C
• InChI: InChI=1S/2C16H11F6N2.C15H14F6N.C14H11F4N2S.C13H14F3N2.2C12H11F4N2/c1-4-6-7-10(17)8-9(12(19)15(22)14(21)11(8)18)13(20)16(7)23-5(2)24(6)3;1-4-6-8-7(5(2)23-24(6)3)11(17)9-10(12(8)18)14(20)16(22)15(21)13(9)19;1-5-8-6(2)10(15(19,20)21)9-12(17)13(18)11(16)7(3)14(9)22(8)4;1-4-6-7-9(15)8-10(16)14(18)21-13(8)11(17)12(7)19-5(2)20(6)3;1-5-8-7(3)17-12-11(16)10(15)9(14)6(2)13(12)18(8)4;1-4-6-7-8(13)9(14)10(15)11(16)12(7)17-5(2)18(6)3;1-4-6-8-7(5(2)17-18(6)3)9(13)11(15)12(16)10(8)14/h2*4H2,1-3H3;5H2,1-4H3;4H2,1-3H3;5H2,1-4H3;2*4H2,1-3H3/q7*+1
• InChIKey: UFRYGOBPHMAZSC-UHFFFAOYSA-N
• XLogP: 23.45
• TPSA: 104.50 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2101.83
LogP ≤ 5	23.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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 4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[g]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;1-ethyl-5,6,7,8-tetrafluoro-2,4-dimethylphthalazin-2-ium;4-ethyl-5,6,7,8-tetrafluoro-2,3-dimethylquinazolin-3-ium;4-ethyl-5,6,7,9-tetrafluoro-2,3-dimethylthieno[3,2-g]quinazolin-3-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethylquinoxalin-1-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethyl-4-(trifluoromethyl)quinolin-1-ium?

The IUPAC name of 4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[g]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;1-ethyl-5,6,7,8-tetrafluoro-2,4-dimethylphthalazin-2-ium;4-ethyl-5,6,7,8-tetrafluoro-2,3-dimethylquinazolin-3-ium;4-ethyl-5,6,7,9-tetrafluoro-2,3-dimethylthieno[3,2-g]quinazolin-3-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethylquinoxalin-1-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethyl-4-(trifluoromethyl)quinolin-1-ium (CID 161081526) is 4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[g]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;1-ethyl-5,6,7,8-tetrafluoro-2,4-dimethylphthalazin-2-ium;4-ethyl-5,6,7,8-tetrafluoro-2,3-dimethylquinazolin-3-ium;4-ethyl-5,6,7,9-tetrafluoro-2,3-dimethylthieno[3,2-g]quinazolin-3-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethylquinoxalin-1-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethyl-4-(trifluoromethyl)quinolin-1-ium.

What is the SMILES notation for 4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[g]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;1-ethyl-5,6,7,8-tetrafluoro-2,4-dimethylphthalazin-2-ium;4-ethyl-5,6,7,8-tetrafluoro-2,3-dimethylquinazolin-3-ium;4-ethyl-5,6,7,9-tetrafluoro-2,3-dimethylthieno[3,2-g]quinazolin-3-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethylquinoxalin-1-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethyl-4-(trifluoromethyl)quinolin-1-ium?

The canonical SMILES for 4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[g]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;1-ethyl-5,6,7,8-tetrafluoro-2,4-dimethylphthalazin-2-ium;4-ethyl-5,6,7,8-tetrafluoro-2,3-dimethylquinazolin-3-ium;4-ethyl-5,6,7,9-tetrafluoro-2,3-dimethylthieno[3,2-g]quinazolin-3-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethylquinoxalin-1-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethyl-4-(trifluoromethyl)quinolin-1-ium is CCc1c(C)c(C(F)(F)F)c2c(F)c(F)c(F)c(C)c2[n+]1C.CCc1c(C)nc2c(F)c(F)c(F)c(C)c2[n+]1C.CCc1c2c(F)c(F)c(F)c(F)c2c(C)n[n+]1C.CCc1c2c(F)c(F)c(F)c(F)c2nc(C)[n+]1C.CCc1c2c(F)c3c(F)c(F)c(F)c(F)c3c(F)c2c(C)n[n+]1C.CCc1c2c(F)c3c(F)c(F)c(F)c(F)c3c(F)c2nc(C)[n+]1C.CCc1c2c(F)c3c(F)c(F)sc3c(F)c2nc(C)[n+]1C.

What is the InChIKey of 4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[g]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;1-ethyl-5,6,7,8-tetrafluoro-2,4-dimethylphthalazin-2-ium;4-ethyl-5,6,7,8-tetrafluoro-2,3-dimethylquinazolin-3-ium;4-ethyl-5,6,7,9-tetrafluoro-2,3-dimethylthieno[3,2-g]quinazolin-3-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethylquinoxalin-1-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethyl-4-(trifluoromethyl)quinolin-1-ium?

The InChIKey is UFRYGOBPHMAZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H11F6N2.C15H14F6N.C14H11F4N2S.C13H14F3N2.2C12H11F4N2/c1-4-6-7-10(17)8-9(12(19)15(22)14(21)11(8)18)13(20)16(7)23-5(2)24(6)3;1-4-6-8-7(5(2)23-24(6)3)11(17)9-10(12(8)18)14(20)16(22)15(21)13(9)19;1-5-8-6(2)10(15(19,20)21)9-12(17)13(18)11(16)7(3)14(9)22(8)4;1-4-6-7-9(15)8-10(16)14(18)21-13(8)11(17)12(7)19-5(2)20(6)3;1-5-8-7(3)17-12-11(16)10(15)9(14)6(2)13(12)18(8)4;1-4-6-7-8(13)9(14)10(15)11(16)12(7)17-5(2)18(6)3;1-4-6-8-7(5(2)17-18(6)3)9(13)11(15)12(16)10(8)14/h2*4H2,1-3H3;5H2,1-4H3;4H2,1-3H3;5H2,1-4H3;2*4H2,1-3H3/q7*+1.

What are the key properties of 4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[g]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;1-ethyl-5,6,7,8-tetrafluoro-2,4-dimethylphthalazin-2-ium;4-ethyl-5,6,7,8-tetrafluoro-2,3-dimethylquinazolin-3-ium;4-ethyl-5,6,7,9-tetrafluoro-2,3-dimethylthieno[3,2-g]quinazolin-3-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethylquinoxalin-1-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethyl-4-(trifluoromethyl)quinolin-1-ium?

4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[g]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;1-ethyl-5,6,7,8-tetrafluoro-2,4-dimethylphthalazin-2-ium;4-ethyl-5,6,7,8-tetrafluoro-2,3-dimethylquinazolin-3-ium;4-ethyl-5,6,7,9-tetrafluoro-2,3-dimethylthieno[3,2-g]quinazolin-3-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethylquinoxalin-1-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethyl-4-(trifluoromethyl)quinolin-1-ium has a molecular weight of 2101.83 g/mol, XLogP of 23.45, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[g]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;1-ethyl-5,6,7,8-tetrafluoro-2,4-dimethylphthalazin-2-ium;4-ethyl-5,6,7,8-tetrafluoro-2,3-dimethylquinazolin-3-ium;4-ethyl-5,6,7,9-tetrafluoro-2,3-dimethylthieno[3,2-g]quinazolin-3-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethylquinoxalin-1-ium;2-ethyl-5,6,7-trifluoro-1,3,8-trimethyl-4-(trifluoromethyl)quinolin-1-ium is sourced from PubChem (CID 161081526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).