11'-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-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-8-[2,6-di(propan-2-yl)phenyl]-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];6,11'-ditert-butyl-4'-methyl-13-(trifluoromethyl)spiro[12,14,15-triaza-1-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11,13-heptaene-16,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]

C103H103F9N24+6 — CID 159621671

About 11'-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-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-8-[2,6-di(propan-2-yl)phenyl]-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];6,11'-ditert-butyl-4'-methyl-13-(trifluoromethyl)spiro[12,14,15-triaza-1-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11,13-heptaene-16,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]

11'-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-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-8-[2,6-di(propan-2-yl)phenyl]-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];6,11'-ditert-butyl-4'-methyl-13-(trifluoromethyl)spiro[12,14,15-triaza-1-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11,13-heptaene-16,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene] (PubChem CID 159621671) has the molecular formula C103H103F9N24+6 and a molecular weight of 1848.11 g/mol. Its IUPAC name is 11'-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-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-8-[2,6-di(propan-2-yl)phenyl]-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];6,11'-ditert-butyl-4'-methyl-13-(trifluoromethyl)spiro[12,14,15-triaza-1-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11,13-heptaene-16,7'-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-5-[2,6-di(propan-2-yl)phenyl]-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-8-[2,6-di(propan-2-yl)phenyl]-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];6,11'-ditert-butyl-4'-methyl-13-(trifluoromethyl)spiro[12,14,15-triaza-1-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11,13-heptaene-16,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]
• PubChem CID: 159621671
• Molecular Formula: C103H103F9N24+6
• Molecular Weight: 1848.11 g/mol
• Exact Mass: 1846.86
• IUPAC Name: 11'-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-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-8-[2,6-di(propan-2-yl)phenyl]-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];6,11'-ditert-butyl-4'-methyl-13-(trifluoromethyl)spiro[12,14,15-triaza-1-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11,13-heptaene-16,7'-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(-c5c(C(C)C)cccc5C(C)C)cc4cc[n+]31)[n+]1ccc(C(C)(C)C)cc1-2.Cc1nc2n(n1)C1(n3nc(C(F)(F)F)nc3-c3c4ccccc4c(-c4c(C(C)C)cccc4C(C)C)c[n+]31)[n+]1ccc(C(C)(C)C)cc1-2.Cc1nc2n(n1)C1(n3nc(C(F)(F)F)nc3-c3cc4cc(C(C)(C)C)ccc4c[n+]31)[n+]1ccc(C(C)(C)C)cc1-2
• InChI: InChI=1S/2C37H37F3N8.C29H29F3N8/c1-20(2)24-14-11-15-25(21(3)4)30(24)28-19-46-31(27-13-10-9-12-26(27)28)33-42-34(36(38,39)40)44-48(33)37(46)45-17-16-23(35(6,7)8)18-29(45)32-41-22(5)43-47(32)37;1-20(2)26-10-9-11-27(21(3)4)30(26)24-12-13-28-23(18-24)14-16-46-31(28)33-42-34(36(38,39)40)44-48(33)37(46)45-17-15-25(35(6,7)8)19-29(45)32-41-22(5)43-47(32)37;1-16-33-23-22-14-20(27(5,6)7)10-11-37(22)29(39(23)35-16)38-15-17-8-9-19(26(2,3)4)12-18(17)13-21(38)24-34-25(28(30,31)32)36-40(24)29/h2*9-21H,1-8H3;8-15H,1-7H3/q3*+2
• InChIKey: OYCUXHAZJHHJKD-UHFFFAOYSA-N
• XLogP: 19.31
• TPSA: 207.54 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1848.11
LogP ≤ 5	19.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

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-5-[2,6-di(propan-2-yl)phenyl]-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-8-[2,6-di(propan-2-yl)phenyl]-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];6,11'-ditert-butyl-4'-methyl-13-(trifluoromethyl)spiro[12,14,15-triaza-1-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11,13-heptaene-16,7'-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-5-[2,6-di(propan-2-yl)phenyl]-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-8-[2,6-di(propan-2-yl)phenyl]-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];6,11'-ditert-butyl-4'-methyl-13-(trifluoromethyl)spiro[12,14,15-triaza-1-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11,13-heptaene-16,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene] (CID 159621671) is 11'-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-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-8-[2,6-di(propan-2-yl)phenyl]-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];6,11'-ditert-butyl-4'-methyl-13-(trifluoromethyl)spiro[12,14,15-triaza-1-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11,13-heptaene-16,7'-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-5-[2,6-di(propan-2-yl)phenyl]-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-8-[2,6-di(propan-2-yl)phenyl]-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];6,11'-ditert-butyl-4'-methyl-13-(trifluoromethyl)spiro[12,14,15-triaza-1-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11,13-heptaene-16,7'-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-5-[2,6-di(propan-2-yl)phenyl]-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-8-[2,6-di(propan-2-yl)phenyl]-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];6,11'-ditert-butyl-4'-methyl-13-(trifluoromethyl)spiro[12,14,15-triaza-1-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11,13-heptaene-16,7'-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(-c5c(C(C)C)cccc5C(C)C)cc4cc[n+]31)[n+]1ccc(C(C)(C)C)cc1-2.Cc1nc2n(n1)C1(n3nc(C(F)(F)F)nc3-c3c4ccccc4c(-c4c(C(C)C)cccc4C(C)C)c[n+]31)[n+]1ccc(C(C)(C)C)cc1-2.Cc1nc2n(n1)C1(n3nc(C(F)(F)F)nc3-c3cc4cc(C(C)(C)C)ccc4c[n+]31)[n+]1ccc(C(C)(C)C)cc1-2.

What is the InChIKey of 11'-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-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-8-[2,6-di(propan-2-yl)phenyl]-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];6,11'-ditert-butyl-4'-methyl-13-(trifluoromethyl)spiro[12,14,15-triaza-1-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11,13-heptaene-16,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]?

The InChIKey is OYCUXHAZJHHJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H37F3N8.C29H29F3N8/c1-20(2)24-14-11-15-25(21(3)4)30(24)28-19-46-31(27-13-10-9-12-26(27)28)33-42-34(36(38,39)40)44-48(33)37(46)45-17-16-23(35(6,7)8)18-29(45)32-41-22(5)43-47(32)37;1-20(2)26-10-9-11-27(21(3)4)30(26)24-12-13-28-23(18-24)14-16-46-31(28)33-42-34(36(38,39)40)44-48(33)37(46)45-17-15-25(35(6,7)8)19-29(45)32-41-22(5)43-47(32)37;1-16-33-23-22-14-20(27(5,6)7)10-11-37(22)29(39(23)35-16)38-15-17-8-9-19(26(2,3)4)12-18(17)13-21(38)24-34-25(28(30,31)32)36-40(24)29/h2*9-21H,1-8H3;8-15H,1-7H3/q3*+2.

What are the key properties of 11'-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-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-8-[2,6-di(propan-2-yl)phenyl]-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];6,11'-ditert-butyl-4'-methyl-13-(trifluoromethyl)spiro[12,14,15-triaza-1-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11,13-heptaene-16,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene]?

11'-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-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-8-[2,6-di(propan-2-yl)phenyl]-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];6,11'-ditert-butyl-4'-methyl-13-(trifluoromethyl)spiro[12,14,15-triaza-1-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11,13-heptaene-16,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene] has a molecular weight of 1848.11 g/mol, XLogP of 19.31, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 11'-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-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-8-[2,6-di(propan-2-yl)phenyl]-4'-methyl-14-(trifluoromethyl)spiro[12,13,15-triaza-10-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,13,15-heptaene-11,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene];6,11'-ditert-butyl-4'-methyl-13-(trifluoromethyl)spiro[12,14,15-triaza-1-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11,13-heptaene-16,7'-3,5,6-triaza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene] is sourced from PubChem (CID 159621671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).