4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[f]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;3-ethyl-6,7,8,9,10-pentafluoro-2,4,5-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium;4-ethyl-2,3,7-trimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium

C98H83F25N12S+6 — CID 159155872

About 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[f]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;3-ethyl-6,7,8,9,10-pentafluoro-2,4,5-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium;4-ethyl-2,3,7-trimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium

4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[f]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;3-ethyl-6,7,8,9,10-pentafluoro-2,4,5-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium;4-ethyl-2,3,7-trimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium (PubChem CID 159155872) has the molecular formula C98H83F25N12S+6 and a molecular weight of 1935.84 g/mol. Its IUPAC name is 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[f]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;3-ethyl-6,7,8,9,10-pentafluoro-2,4,5-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium;4-ethyl-2,3,7-trimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium.

Molecular Properties

• Compound Name: 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[f]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;3-ethyl-6,7,8,9,10-pentafluoro-2,4,5-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium;4-ethyl-2,3,7-trimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium
• PubChem CID: 159155872
• Molecular Formula: C98H83F25N12S+6
• Molecular Weight: 1935.84 g/mol
• Exact Mass: 1934.62
• IUPAC Name: 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[f]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;3-ethyl-6,7,8,9,10-pentafluoro-2,4,5-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium;4-ethyl-2,3,7-trimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium
• SMILES: CCc1c(C)nc2c(F)c3c(F)c(F)sc3c(C)c2[n+]1C.CCc1c(C)nc2c3c(F)c(F)c(F)c(F)c3c(F)c(C)c2[n+]1C.CCc1c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2c(C)n[n+]1C.CCc1c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2nc(C)[n+]1C.CCc1c2cc3cc(C)ccc3c(C(F)(F)F)c2nc(C)[n+]1C.CCc1c2cc3cc(F)ccc3c(F)c2nc(C)[n+]1C
• InChI: InChI=1S/C18H18F3N2.C17H14F5N2.2C16H11F6N2.C16H15F2N2.C15H14F3N2S/c1-5-15-14-9-12-8-10(2)6-7-13(12)16(18(19,20)21)17(14)22-11(3)23(15)4;1-5-8-7(3)23-16-10-9(11(18)6(2)17(16)24(8)4)12(19)14(21)15(22)13(10)20;1-4-6-7-10(17)11(18)8-9(16(7)23-5(2)24(6)3)13(20)15(22)14(21)12(8)19;1-4-6-8-7(5(2)23-24(6)3)9-10(13(19)11(8)17)14(20)16(22)15(21)12(9)18;1-4-14-13-8-10-7-11(17)5-6-12(10)15(18)16(13)19-9(2)20(14)3;1-5-8-7(3)19-12-10(16)9-11(17)15(18)21-14(9)6(2)13(12)20(8)4/h6-9H,5H2,1-4H3;5H2,1-4H3;2*4H2,1-3H3;5-8H,4H2,1-3H3;5H2,1-4H3/q6*+1
• InChIKey: NFCZUYUBXRNISV-UHFFFAOYSA-N
• XLogP: 23.57
• TPSA: 100.62 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1935.84
LogP ≤ 5	23.57
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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[f]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;3-ethyl-6,7,8,9,10-pentafluoro-2,4,5-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium;4-ethyl-2,3,7-trimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium?

The IUPAC name of 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[f]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;3-ethyl-6,7,8,9,10-pentafluoro-2,4,5-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium;4-ethyl-2,3,7-trimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium (CID 159155872) is 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[f]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;3-ethyl-6,7,8,9,10-pentafluoro-2,4,5-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium;4-ethyl-2,3,7-trimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium.

What is the SMILES notation for 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[f]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;3-ethyl-6,7,8,9,10-pentafluoro-2,4,5-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium;4-ethyl-2,3,7-trimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium?

The canonical SMILES for 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[f]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;3-ethyl-6,7,8,9,10-pentafluoro-2,4,5-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium;4-ethyl-2,3,7-trimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium is CCc1c(C)nc2c(F)c3c(F)c(F)sc3c(C)c2[n+]1C.CCc1c(C)nc2c3c(F)c(F)c(F)c(F)c3c(F)c(C)c2[n+]1C.CCc1c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2c(C)n[n+]1C.CCc1c2c(F)c(F)c3c(F)c(F)c(F)c(F)c3c2nc(C)[n+]1C.CCc1c2cc3cc(C)ccc3c(C(F)(F)F)c2nc(C)[n+]1C.CCc1c2cc3cc(F)ccc3c(F)c2nc(C)[n+]1C.

What is the InChIKey of 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[f]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;3-ethyl-6,7,8,9,10-pentafluoro-2,4,5-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium;4-ethyl-2,3,7-trimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium?

The InChIKey is NFCZUYUBXRNISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N2.C17H14F5N2.2C16H11F6N2.C16H15F2N2.C15H14F3N2S/c1-5-15-14-9-12-8-10(2)6-7-13(12)16(18(19,20)21)17(14)22-11(3)23(15)4;1-5-8-7(3)23-16-10-9(11(18)6(2)17(16)24(8)4)12(19)14(21)15(22)13(10)20;1-4-6-7-10(17)11(18)8-9(16(7)23-5(2)24(6)3)13(20)15(22)14(21)12(8)19;1-4-6-8-7(5(2)23-24(6)3)9-10(13(19)11(8)17)14(20)16(22)15(21)12(9)18;1-4-14-13-8-10-7-11(17)5-6-12(10)15(18)16(13)19-9(2)20(14)3;1-5-8-7(3)19-12-10(16)9-11(17)15(18)21-14(9)6(2)13(12)20(8)4/h6-9H,5H2,1-4H3;5H2,1-4H3;2*4H2,1-3H3;5-8H,4H2,1-3H3;5H2,1-4H3/q6*+1.

What are the key properties of 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[f]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;3-ethyl-6,7,8,9,10-pentafluoro-2,4,5-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium;4-ethyl-2,3,7-trimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium?

4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[f]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;3-ethyl-6,7,8,9,10-pentafluoro-2,4,5-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium;4-ethyl-2,3,7-trimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium has a molecular weight of 1935.84 g/mol, XLogP of 23.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-7,10-difluoro-2,3-dimethylbenzo[g]quinazolin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-1,3-dimethylbenzo[f]phthalazin-3-ium;4-ethyl-5,6,7,8,9,10-hexafluoro-2,3-dimethylbenzo[h]quinazolin-3-ium;3-ethyl-6,7,8,9,10-pentafluoro-2,4,5-trimethylbenzo[f]quinoxalin-4-ium;3-ethyl-7,8,9-trifluoro-2,4,5-trimethylthieno[3,2-g]quinoxalin-4-ium;4-ethyl-2,3,7-trimethyl-10-(trifluoromethyl)benzo[g]quinazolin-3-ium is sourced from PubChem (CID 159155872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).