11'-tert-butyl-4'-methyl-4-(trifluoromethyl)spiro[3,5,6,10-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];5-tert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene];5,11'-ditert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]

C74H68F9N25+6 — CID 157239525

About 11'-tert-butyl-4'-methyl-4-(trifluoromethyl)spiro[3,5,6,10-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];5-tert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene];5,11'-ditert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]

11'-tert-butyl-4'-methyl-4-(trifluoromethyl)spiro[3,5,6,10-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];5-tert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene];5,11'-ditert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene] (PubChem CID 157239525) has the molecular formula C74H68F9N25+6 and a molecular weight of 1478.51 g/mol. Its IUPAC name is 11'-tert-butyl-4'-methyl-4-(trifluoromethyl)spiro[3,5,6,10-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];5-tert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene];5,11'-ditert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene].

Molecular Properties

• Compound Name: 11'-tert-butyl-4'-methyl-4-(trifluoromethyl)spiro[3,5,6,10-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];5-tert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene];5,11'-ditert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]
• PubChem CID: 157239525
• Molecular Formula: C74H68F9N25+6
• Molecular Weight: 1478.51 g/mol
• Exact Mass: 1477.59
• IUPAC Name: 11'-tert-butyl-4'-methyl-4-(trifluoromethyl)spiro[3,5,6,10-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];5-tert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene];5,11'-ditert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]
• SMILES: Cc1nc2n(n1)C1(n3nc(C(F)(F)F)nc3-c3c4ccc(C(C)(C)C)cc4cc[n+]31)[n+]1ccc(C(C)(C)C)cc1-2.Cc1nc2n(n1)C1(n3nc(C(F)(F)F)nc3-c3c4ccc(C(C)(C)C)cc4cc[n+]31)[n+]1ccccc1-2.Cc1nc2n(n1)C1(n3nc(C(F)(F)F)nc3-c3ccnc[n+]31)[n+]1ccc(C(C)(C)C)cc1-2
• InChI: InChI=1S/C29H29F3N8.C25H21F3N8.C20H18F3N9/c1-16-33-23-21-15-19(27(5,6)7)11-13-37(21)29(39(23)35-16)38-12-10-17-14-18(26(2,3)4)8-9-20(17)22(38)24-34-25(28(30,31)32)36-40(24)29;1-14-29-20-18-7-5-6-11-33(18)25(35(20)31-14)34-12-10-15-13-16(23(2,3)4)8-9-17(15)19(34)21-30-22(24(26,27)28)32-36(21)25;1-11-25-16-14-9-12(18(2,3)4)6-8-29(14)20(31(16)27-11)30-10-24-7-5-13(30)15-26-17(19(21,22)23)28-32(15)20/h8-15H,1-7H3;5-13H,1-4H3;5-10H,1-4H3/q3*+2
• InChIKey: FNQMGLSJQDTBSN-UHFFFAOYSA-N
• XLogP: 9.73
• TPSA: 220.43 Ų
• H-Bond Acceptors: 19
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1478.51
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11'-tert-butyl-4'-methyl-4-(trifluoromethyl)spiro[3,5,6,10-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];5-tert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene];5,11'-ditert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]?

The IUPAC name of 11'-tert-butyl-4'-methyl-4-(trifluoromethyl)spiro[3,5,6,10-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];5-tert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene];5,11'-ditert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene] (CID 157239525) is 11'-tert-butyl-4'-methyl-4-(trifluoromethyl)spiro[3,5,6,10-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];5-tert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene];5,11'-ditert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene].

What is the SMILES notation for 11'-tert-butyl-4'-methyl-4-(trifluoromethyl)spiro[3,5,6,10-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];5-tert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene];5,11'-ditert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]?

The canonical SMILES for 11'-tert-butyl-4'-methyl-4-(trifluoromethyl)spiro[3,5,6,10-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];5-tert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene];5,11'-ditert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene] is Cc1nc2n(n1)C1(n3nc(C(F)(F)F)nc3-c3c4ccc(C(C)(C)C)cc4cc[n+]31)[n+]1ccc(C(C)(C)C)cc1-2.Cc1nc2n(n1)C1(n3nc(C(F)(F)F)nc3-c3c4ccc(C(C)(C)C)cc4cc[n+]31)[n+]1ccccc1-2.Cc1nc2n(n1)C1(n3nc(C(F)(F)F)nc3-c3ccnc[n+]31)[n+]1ccc(C(C)(C)C)cc1-2.

What is the InChIKey of 11'-tert-butyl-4'-methyl-4-(trifluoromethyl)spiro[3,5,6,10-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];5-tert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene];5,11'-ditert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]?

The InChIKey is FNQMGLSJQDTBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N8.C25H21F3N8.C20H18F3N9/c1-16-33-23-21-15-19(27(5,6)7)11-13-37(21)29(39(23)35-16)38-12-10-17-14-18(26(2,3)4)8-9-20(17)22(38)24-34-25(28(30,31)32)36-40(24)29;1-14-29-20-18-7-5-6-11-33(18)25(35(20)31-14)34-12-10-15-13-16(23(2,3)4)8-9-17(15)19(34)21-30-22(24(26,27)28)32-36(21)25;1-11-25-16-14-9-12(18(2,3)4)6-8-29(14)20(31(16)27-11)30-10-24-7-5-13(30)15-26-17(19(21,22)23)28-32(15)20/h8-15H,1-7H3;5-13H,1-4H3;5-10H,1-4H3/q3*+2.

What are the key properties of 11'-tert-butyl-4'-methyl-4-(trifluoromethyl)spiro[3,5,6,10-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];5-tert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene];5,11'-ditert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]?

11'-tert-butyl-4'-methyl-4-(trifluoromethyl)spiro[3,5,6,10-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];5-tert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene];5,11'-ditert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene] has a molecular weight of 1478.51 g/mol, XLogP of 9.73, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 11'-tert-butyl-4'-methyl-4-(trifluoromethyl)spiro[3,5,6,10-tetraza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-7,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];5-tert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene];5,11'-ditert-butyl-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),3,5,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene] is sourced from PubChem (CID 157239525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).