12,12,13,13,17-pentamethyl-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13,17-pentamethyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-17-methyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-10-phenyl-17-(trideuteriomethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13-tetramethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,13,13-trimethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene

C246H200F29N17 — CID 161304952

About 12,12,13,13,17-pentamethyl-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13,17-pentamethyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-17-methyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-10-phenyl-17-(trideuteriomethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13-tetramethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,13,13-trimethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene

12,12,13,13,17-pentamethyl-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13,17-pentamethyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-17-methyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-10-phenyl-17-(trideuteriomethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13-tetramethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,13,13-trimethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene (PubChem CID 161304952) has the molecular formula C246H200F29N17 and a molecular weight of 3957.44 g/mol. Its IUPAC name is 12,12,13,13,17-pentamethyl-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13,17-pentamethyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-17-methyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-10-phenyl-17-(trideuteriomethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13-tetramethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,13,13-trimethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene.

Molecular Properties

• Compound Name: 12,12,13,13,17-pentamethyl-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13,17-pentamethyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-17-methyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-10-phenyl-17-(trideuteriomethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13-tetramethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,13,13-trimethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene
• PubChem CID: 161304952
• Molecular Formula: C246H200F29N17
• Molecular Weight: 3957.44 g/mol
• Exact Mass: 3954.65
• IUPAC Name: 12,12,13,13,17-pentamethyl-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13,17-pentamethyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-17-methyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-10-phenyl-17-(trideuteriomethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13-tetramethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,13,13-trimethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene
• SMILES: CC1(C)c2cccc3c4ccccc4c4nc(-c5ccccc5)c(n4c23)C1(C)C(F)(F)F.Cc1ccc2c3c1c1ccccc1c1ccc(n13)C(C)(C(F)(F)F)C2(C)C.Cc1ccc2c3c1c1ccccc1c1ccc(n13)C(C)(C)C2(C)C.Cc1ccc2c3c1c1ccccc1c1nc(-c4ccccc4)c(n13)C(C)(C(F)(F)F)C2(C)C.Cc1ccc2c3c1c1ccccc1c1nc(-c4ccccc4)c(n13)C(F)(F)C2(F)F.Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1C(C)(C(F)(F)F)C4(C)C.[2H]C([2H])([2H])c1ccc2c3c1c1ccccc1c1ccc(n13)C(C)(C(F)(F)F)C2(C)C.[2H]C([2H])([2H])c1ccc2c3c1c1ccccc1c1nc(-c4ccccc4)c(n13)C(C)(C(F)(F)F)C2(C)C.[2H]C([2H])([2H])c1ccc2c3c1c1ccccc1c1nc(-c4ccccc4)c(n13)C(F)(F)C2(F)F.[2H]C([2H])([2H])c1ccc2c3c1c1ccccc1c1nc(C)c(n13)C(C)(C(F)(F)F)C2(C)C
• InChI: InChI=1S/2C28H23F3N2.C27H21F3N2.2C24H14F4N2.2C23H21F3N2.2C23H20F3N.C23H23N/c2*1-16-14-15-20-23-21(16)18-12-8-9-13-19(18)25-32-22(17-10-6-5-7-11-17)24(33(23)25)27(4,26(20,2)3)28(29,30)31;1-25(2)20-15-9-14-18-17-12-7-8-13-19(17)24-31-21(16-10-5-4-6-11-16)23(32(24)22(18)20)26(25,3)27(28,29)30;2*1-13-11-12-17-20-18(13)15-9-5-6-10-16(15)22-29-19(14-7-3-2-4-8-14)21(30(20)22)24(27,28)23(17,25)26;2*1-12-10-11-16-18-17(12)14-8-6-7-9-15(14)20-27-13(2)19(28(18)20)22(5,21(16,3)4)23(24,25)26;2*1-13-9-10-16-20-19(13)15-8-6-5-7-14(15)17-11-12-18(27(17)20)22(4,21(16,2)3)23(24,25)26;1-14-10-11-17-21-20(14)16-9-7-6-8-15(16)18-12-13-19(24(18)21)23(4,5)22(17,2)3/h2*5-15H,1-4H3;4-15H,1-3H3;2*2-12H,1H3;2*6-11H,1-5H3;2*5-12H,1-4H3;6-13H,1-5H3/i1D3;;;1D3;;1D3;;1D3
• InChIKey: VICUZFFNKHXJTN-VHQSQDFRSA-N
• XLogP: 68.69
• TPSA: 134.33 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 292
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3957.44
LogP ≤ 5	68.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 12,12,13,13,17-pentamethyl-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13,17-pentamethyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-17-methyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-10-phenyl-17-(trideuteriomethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13-tetramethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,13,13-trimethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?

The IUPAC name of 12,12,13,13,17-pentamethyl-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13,17-pentamethyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-17-methyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-10-phenyl-17-(trideuteriomethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13-tetramethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,13,13-trimethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene (CID 161304952) is 12,12,13,13,17-pentamethyl-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13,17-pentamethyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-17-methyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-10-phenyl-17-(trideuteriomethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13-tetramethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,13,13-trimethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene.

What is the SMILES notation for 12,12,13,13,17-pentamethyl-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13,17-pentamethyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-17-methyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-10-phenyl-17-(trideuteriomethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13-tetramethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,13,13-trimethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?

The canonical SMILES for 12,12,13,13,17-pentamethyl-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13,17-pentamethyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-17-methyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-10-phenyl-17-(trideuteriomethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13-tetramethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,13,13-trimethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene is CC1(C)c2cccc3c4ccccc4c4nc(-c5ccccc5)c(n4c23)C1(C)C(F)(F)F.Cc1ccc2c3c1c1ccccc1c1ccc(n13)C(C)(C(F)(F)F)C2(C)C.Cc1ccc2c3c1c1ccccc1c1ccc(n13)C(C)(C)C2(C)C.Cc1ccc2c3c1c1ccccc1c1nc(-c4ccccc4)c(n13)C(C)(C(F)(F)F)C2(C)C.Cc1ccc2c3c1c1ccccc1c1nc(-c4ccccc4)c(n13)C(F)(F)C2(F)F.Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1C(C)(C(F)(F)F)C4(C)C.[2H]C([2H])([2H])c1ccc2c3c1c1ccccc1c1ccc(n13)C(C)(C(F)(F)F)C2(C)C.[2H]C([2H])([2H])c1ccc2c3c1c1ccccc1c1nc(-c4ccccc4)c(n13)C(C)(C(F)(F)F)C2(C)C.[2H]C([2H])([2H])c1ccc2c3c1c1ccccc1c1nc(-c4ccccc4)c(n13)C(F)(F)C2(F)F.[2H]C([2H])([2H])c1ccc2c3c1c1ccccc1c1nc(C)c(n13)C(C)(C(F)(F)F)C2(C)C.

What is the InChIKey of 12,12,13,13,17-pentamethyl-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13,17-pentamethyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-17-methyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-10-phenyl-17-(trideuteriomethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13-tetramethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,13,13-trimethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?

The InChIKey is VICUZFFNKHXJTN-VHQSQDFRSA-N. The full InChI is InChI=1S/2C28H23F3N2.C27H21F3N2.2C24H14F4N2.2C23H21F3N2.2C23H20F3N.C23H23N/c2*1-16-14-15-20-23-21(16)18-12-8-9-13-19(18)25-32-22(17-10-6-5-7-11-17)24(33(23)25)27(4,26(20,2)3)28(29,30)31;1-25(2)20-15-9-14-18-17-12-7-8-13-19(17)24-31-21(16-10-5-4-6-11-16)23(32(24)22(18)20)26(25,3)27(28,29)30;2*1-13-11-12-17-20-18(13)15-9-5-6-10-16(15)22-29-19(14-7-3-2-4-8-14)21(30(20)22)24(27,28)23(17,25)26;2*1-12-10-11-16-18-17(12)14-8-6-7-9-15(14)20-27-13(2)19(28(18)20)22(5,21(16,3)4)23(24,25)26;2*1-13-9-10-16-20-19(13)15-8-6-5-7-14(15)17-11-12-18(27(17)20)22(4,21(16,2)3)23(24,25)26;1-14-10-11-17-21-20(14)16-9-7-6-8-15(16)18-12-13-19(24(18)21)23(4,5)22(17,2)3/h2*5-15H,1-4H3;4-15H,1-3H3;2*2-12H,1H3;2*6-11H,1-5H3;2*5-12H,1-4H3;6-13H,1-5H3/i1D3;;;1D3;;1D3;;1D3;;.

What are the key properties of 12,12,13,13,17-pentamethyl-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13,17-pentamethyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-17-methyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-10-phenyl-17-(trideuteriomethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13-tetramethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,13,13-trimethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?

12,12,13,13,17-pentamethyl-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13,17-pentamethyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-17-methyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-10-phenyl-17-(trideuteriomethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13-tetramethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,13,13-trimethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene has a molecular weight of 3957.44 g/mol, XLogP of 68.69, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 12,12,13,13,17-pentamethyl-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13,17-pentamethyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-17-methyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,12,13,13-tetrafluoro-10-phenyl-17-(trideuteriomethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,13,13-tetramethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13,17-tetramethyl-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;12,13,13-trimethyl-10-phenyl-12-(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,13,13-trimethyl-17-(trideuteriomethyl)-12-(trifluoromethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene is sourced from PubChem (CID 161304952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).