4,11'-dimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];11'-fluoro-4-methyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];3,4,11'-trimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]

C57H41F10N21+6 — CID 157142118

About 4,11'-dimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];11'-fluoro-4-methyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];3,4,11'-trimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]

4,11'-dimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];11'-fluoro-4-methyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];3,4,11'-trimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene] (PubChem CID 157142118) has the molecular formula C57H41F10N21+6 and a molecular weight of 1210.08 g/mol. Its IUPAC name is 4,11'-dimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];11'-fluoro-4-methyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];3,4,11'-trimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene].

Molecular Properties

• Compound Name: 4,11'-dimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];11'-fluoro-4-methyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];3,4,11'-trimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]
• PubChem CID: 157142118
• Molecular Formula: C57H41F10N21+6
• Molecular Weight: 1210.08 g/mol
• Exact Mass: 1209.37
• IUPAC Name: 4,11'-dimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];11'-fluoro-4-methyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];3,4,11'-trimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]
• SMILES: Cc1cc2n(n1)C1(n3nc(C(F)(F)F)cc3-c3cc(F)cc[n+]31)[n+]1ccncc1-2.Cc1cc[n+]2c(c1)-c1cc(C(F)(F)F)nn1C21n2nc(C)c(C)c2-c2cncc[n+]21.Cc1cc[n+]2c(c1)-c1cc(C(F)(F)F)nn1C21n2nc(C)cc2-c2cncc[n+]21
• InChI: InChI=1S/C20H16F3N7.C19H14F3N7.C18H11F4N7/c1-11-4-6-27-14(8-11)15-9-17(19(21,22)23)26-29(15)20(27)28-7-5-24-10-16(28)18-12(2)13(3)25-30(18)20;1-11-3-5-26-13(7-11)15-9-17(18(20,21)22)25-29(15)19(26)27-6-4-23-10-16(27)14-8-12(2)24-28(14)19;1-10-6-13-15-9-23-3-5-27(15)18(28(13)24-10)26-4-2-11(19)7-12(26)14-8-16(17(20,21)22)25-29(14)18/h4-10H,1-3H3;3-10H,1-2H3;2-9H,1H3/q3*+2
• InChIKey: LNVSQZQJFXZDEU-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 168.87 Ų
• H-Bond Acceptors: 15
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1210.08
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,11'-dimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];11'-fluoro-4-methyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];3,4,11'-trimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]?

The IUPAC name of 4,11'-dimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];11'-fluoro-4-methyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];3,4,11'-trimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene] (CID 157142118) is 4,11'-dimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];11'-fluoro-4-methyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];3,4,11'-trimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene].

What is the SMILES notation for 4,11'-dimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];11'-fluoro-4-methyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];3,4,11'-trimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]?

The canonical SMILES for 4,11'-dimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];11'-fluoro-4-methyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];3,4,11'-trimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene] is Cc1cc2n(n1)C1(n3nc(C(F)(F)F)cc3-c3cc(F)cc[n+]31)[n+]1ccncc1-2.Cc1cc[n+]2c(c1)-c1cc(C(F)(F)F)nn1C21n2nc(C)c(C)c2-c2cncc[n+]21.Cc1cc[n+]2c(c1)-c1cc(C(F)(F)F)nn1C21n2nc(C)cc2-c2cncc[n+]21.

What is the InChIKey of 4,11'-dimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];11'-fluoro-4-methyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];3,4,11'-trimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]?

The InChIKey is LNVSQZQJFXZDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N7.C19H14F3N7.C18H11F4N7/c1-11-4-6-27-14(8-11)15-9-17(19(21,22)23)26-29(15)20(27)28-7-5-24-10-16(28)18-12(2)13(3)25-30(18)20;1-11-3-5-26-13(7-11)15-9-17(18(20,21)22)25-29(15)19(26)27-6-4-23-10-16(27)14-8-12(2)24-28(14)19;1-10-6-13-15-9-23-3-5-27(15)18(28(13)24-10)26-4-2-11(19)7-12(26)14-8-16(17(20,21)22)25-29(14)18/h4-10H,1-3H3;3-10H,1-2H3;2-9H,1H3/q3*+2.

What are the key properties of 4,11'-dimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];11'-fluoro-4-methyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];3,4,11'-trimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]?

4,11'-dimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];11'-fluoro-4-methyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];3,4,11'-trimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene] has a molecular weight of 1210.08 g/mol, XLogP of 5.72, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4,11'-dimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];11'-fluoro-4-methyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];3,4,11'-trimethyl-4'-(trifluoromethyl)spiro[5,6,11-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-5,6-diaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene] is sourced from PubChem (CID 157142118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).