3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4-dimethylpyridazino[4,3-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium

C106H104F6N16+4 — CID 159769719

About 3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4-dimethylpyridazino[4,3-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium

3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4-dimethylpyridazino[4,3-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium (PubChem CID 159769719) has the molecular formula C106H104F6N16+4 and a molecular weight of 1719.12 g/mol. Its IUPAC name is 3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4-dimethylpyridazino[4,3-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium.

Molecular Properties

• Compound Name: 3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4-dimethylpyridazino[4,3-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium
• PubChem CID: 159769719
• Molecular Formula: C106H104F6N16+4
• Molecular Weight: 1719.12 g/mol
• Exact Mass: 1717.87
• IUPAC Name: 3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4-dimethylpyridazino[4,3-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium
• SMILES: Cc1c(-c2c(C)c3nc4ccccc4nc3n[n+]2C)cc(C(C)(C)C)c2ccccc12.Cc1c(-c2c3nc4ccccc4nc3c(C(F)(F)F)n[n+]2C)cc(C(C)(C)C)c2ccccc12.Cc1nc2c(C)c(-c3cc(C(C)(C)C)c4ccccc4c3C)[n+](C)nc2nc1C(F)(F)F.[2H]C([2H])([2H])c1n[n+](C)c(-c2cc(C(C)(C)C)c3ccccc3c2C)c2nc3ccccc3nc12
• InChI: InChI=1S/C27H24F3N4.2C27H27N4.C25H26F3N4/c1-15-16-10-6-7-11-17(16)19(26(2,3)4)14-18(15)24-22-23(25(27(28,29)30)33-34(24)5)32-21-13-9-8-12-20(21)31-22;1-16-18-11-7-8-12-19(18)21(27(3,4)5)15-20(16)26-25-24(17(2)30-31(26)6)28-22-13-9-10-14-23(22)29-25;1-16-18-11-7-8-12-19(18)21(27(3,4)5)15-20(16)25-17(2)24-26(30-31(25)6)29-23-14-10-9-13-22(23)28-24;1-13-16-10-8-9-11-17(16)19(24(4,5)6)12-18(13)21-14(2)20-23(31-32(21)7)30-22(15(3)29-20)25(26,27)28/h6-14H,1-5H3;2*7-15H,1-6H3;8-12H,1-7H3/q4*+1/i;2D3
• InChIKey: NCZWCSGWNTUAPI-KUHFQXLVSA-N
• XLogP: 23.83
• TPSA: 170.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1719.12
LogP ≤ 5	23.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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 3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4-dimethylpyridazino[4,3-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium?

The IUPAC name of 3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4-dimethylpyridazino[4,3-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium (CID 159769719) is 3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4-dimethylpyridazino[4,3-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium.

What is the SMILES notation for 3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4-dimethylpyridazino[4,3-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium?

The canonical SMILES for 3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4-dimethylpyridazino[4,3-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium is Cc1c(-c2c(C)c3nc4ccccc4nc3n[n+]2C)cc(C(C)(C)C)c2ccccc12.Cc1c(-c2c3nc4ccccc4nc3c(C(F)(F)F)n[n+]2C)cc(C(C)(C)C)c2ccccc12.Cc1nc2c(C)c(-c3cc(C(C)(C)C)c4ccccc4c3C)[n+](C)nc2nc1C(F)(F)F.[2H]C([2H])([2H])c1n[n+](C)c(-c2cc(C(C)(C)C)c3ccccc3c2C)c2nc3ccccc3nc12.

What is the InChIKey of 3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4-dimethylpyridazino[4,3-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium?

The InChIKey is NCZWCSGWNTUAPI-KUHFQXLVSA-N. The full InChI is InChI=1S/C27H24F3N4.2C27H27N4.C25H26F3N4/c1-15-16-10-6-7-11-17(16)19(26(2,3)4)14-18(15)24-22-23(25(27(28,29)30)33-34(24)5)32-21-13-9-8-12-20(21)31-22;1-16-18-11-7-8-12-19(18)21(27(3,4)5)15-20(16)26-25-24(17(2)30-31(26)6)28-22-13-9-10-14-23(22)29-25;1-16-18-11-7-8-12-19(18)21(27(3,4)5)15-20(16)25-17(2)24-26(30-31(25)6)29-23-14-10-9-13-22(23)28-24;1-13-16-10-8-9-11-17(16)19(24(4,5)6)12-18(13)21-14(2)20-23(31-32(21)7)30-22(15(3)29-20)25(26,27)28/h6-14H,1-5H3;2*7-15H,1-6H3;8-12H,1-7H3/q4*+1/i;2D3;;.

What are the key properties of 3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4-dimethylpyridazino[4,3-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium?

3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4-dimethylpyridazino[4,3-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium has a molecular weight of 1719.12 g/mol, XLogP of 23.83, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4-dimethylpyridazino[4,3-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxalin-2-ium;1-(4-tert-butyl-1-methylnaphthalen-2-yl)-2-methyl-4-(trifluoromethyl)pyridazino[4,5-b]quinoxalin-2-ium;3-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,4,6-trimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazin-2-ium is sourced from PubChem (CID 159769719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).