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

C217H150F30N18 — CID 159649084

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

10-deuterio-12,12,13,13-tetrafluoro-17-methyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12-dimethyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-difluoro-12,12-dimethyl-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;13,13-difluoro-10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12,17-trimethyl-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;13,13-difluoro-10,12,12-trimethyl-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;12,12,13,13-tetrafluoro-17-methyl-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-tetrafluoro-10-methyl-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;12,12,13,13-tetrafluoro-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,12,13,13-tetrafluoro-17-(trideuteriomethyl)-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 159649084) has the molecular formula C217H150F30N18 and a molecular weight of 3592.73 g/mol. Its IUPAC name is 10-deuterio-12,12,13,13-tetrafluoro-17-methyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12-dimethyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-difluoro-12,12-dimethyl-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;13,13-difluoro-10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12,17-trimethyl-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;13,13-difluoro-10,12,12-trimethyl-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;12,12,13,13-tetrafluoro-17-methyl-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-tetrafluoro-10-methyl-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;12,12,13,13-tetrafluoro-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,12,13,13-tetrafluoro-17-(trideuteriomethyl)-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: 10-deuterio-12,12,13,13-tetrafluoro-17-methyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12-dimethyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-difluoro-12,12-dimethyl-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;13,13-difluoro-10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12,17-trimethyl-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;13,13-difluoro-10,12,12-trimethyl-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;12,12,13,13-tetrafluoro-17-methyl-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-tetrafluoro-10-methyl-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;12,12,13,13-tetrafluoro-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,12,13,13-tetrafluoro-17-(trideuteriomethyl)-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: 159649084
• Molecular Formula: C217H150F30N18
• Molecular Weight: 3592.73 g/mol
• Exact Mass: 3590.26
• IUPAC Name: 10-deuterio-12,12,13,13-tetrafluoro-17-methyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12-dimethyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-difluoro-12,12-dimethyl-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;13,13-difluoro-10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12,17-trimethyl-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;13,13-difluoro-10,12,12-trimethyl-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;12,12,13,13-tetrafluoro-17-methyl-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-tetrafluoro-10-methyl-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;12,12,13,13-tetrafluoro-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,12,13,13-tetrafluoro-17-(trideuteriomethyl)-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)c2c(-c3ccccc3)nc3c4ccccc4c4cccc(c4n23)C1(F)F.Cc1ccc2c3c1c1ccccc1c1ccc(n13)C(F)(F)C2(F)F.Cc1ccc2c3c1c1ccccc1c1nc(-c4ccccc4)c(n13)C(C)(C)C2(F)F.Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1C(C)(C)C4(F)F.FC1(F)c2cccc3c4ccccc4c4nc(-c5ccccc5)c(n4c23)C1(F)F.[2H]C([2H])([2H])c1ccc2c3c1c1ccccc1c1ccc(n13)C(F)(F)C2(F)F.[2H]C([2H])([2H])c1ccc2c3c1c1ccccc1c1nc(-c4ccccc4)c(n13)C(C)(C)C2(F)F.[2H]C([2H])([2H])c1ccc2c3c1c1ccccc1c1nc(C)c(n13)C(C)(C)C2(F)F.[2H]C([2H])([2H])c1ccc2c3c1c1ccccc1c1nc(C)c(n13)C(F)(F)C2(F)F.[2H]c1nc2c3ccccc3c3c(C)ccc4c3n2c1C(F)(F)C4(F)F
• InChI: InChI=1S/2C26H20F2N2.C25H18F2N2.C23H12F4N2.2C21H18F2N2.C19H12F4N2.2C19H11F4N.C18H10F4N2/c2*1-15-13-14-19-22-20(15)17-11-7-8-12-18(17)24-29-21(16-9-5-4-6-10-16)23(30(22)24)25(2,3)26(19,27)28;1-24(2)22-20(15-9-4-3-5-10-15)28-23-18-12-7-6-11-16(18)17-13-8-14-19(25(24,26)27)21(17)29(22)23;24-22(25)17-12-6-11-15-14-9-4-5-10-16(14)21-28-18(13-7-2-1-3-8-13)20(23(22,26)27)29(21)19(15)17;2*1-11-9-10-15-17-16(11)13-7-5-6-8-14(13)19-24-12(2)18(25(17)19)20(3,4)21(15,22)23;1-9-7-8-13-15-14(9)11-5-3-4-6-12(11)17-24-10(2)16(25(15)17)19(22,23)18(13,20)21;2*1-10-6-7-13-17-16(10)12-5-3-2-4-11(12)14-8-9-15(24(14)17)19(22,23)18(13,20)21;1-9-6-7-12-15-14(9)10-4-2-3-5-11(10)16-23-8-13(24(15)16)18(21,22)17(12,19)20/h2*4-14H,1-3H3;3-14H,1-2H3;1-12H;2*5-10H,1-4H3;3-8H,1-2H3;2*2-9H,1H3;2-8H,1H3/i1D3;;;;1D3;;2*1D3;;8D
• InChIKey: MRIJJLSKUZIPTL-OZKYAFPYSA-N
• XLogP: 60.58
• TPSA: 147.22 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 265
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3592.73
LogP ≤ 5	60.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 10-deuterio-12,12,13,13-tetrafluoro-17-methyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12-dimethyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-difluoro-12,12-dimethyl-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;13,13-difluoro-10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12,17-trimethyl-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;13,13-difluoro-10,12,12-trimethyl-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;12,12,13,13-tetrafluoro-17-methyl-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-tetrafluoro-10-methyl-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;12,12,13,13-tetrafluoro-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,12,13,13-tetrafluoro-17-(trideuteriomethyl)-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 10-deuterio-12,12,13,13-tetrafluoro-17-methyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12-dimethyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-difluoro-12,12-dimethyl-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;13,13-difluoro-10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12,17-trimethyl-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;13,13-difluoro-10,12,12-trimethyl-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;12,12,13,13-tetrafluoro-17-methyl-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-tetrafluoro-10-methyl-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;12,12,13,13-tetrafluoro-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,12,13,13-tetrafluoro-17-(trideuteriomethyl)-19-azapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene (CID 159649084) is 10-deuterio-12,12,13,13-tetrafluoro-17-methyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12-dimethyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-difluoro-12,12-dimethyl-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;13,13-difluoro-10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12,17-trimethyl-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;13,13-difluoro-10,12,12-trimethyl-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;12,12,13,13-tetrafluoro-17-methyl-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-tetrafluoro-10-methyl-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;12,12,13,13-tetrafluoro-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,12,13,13-tetrafluoro-17-(trideuteriomethyl)-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 10-deuterio-12,12,13,13-tetrafluoro-17-methyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12-dimethyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-difluoro-12,12-dimethyl-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;13,13-difluoro-10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12,17-trimethyl-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;13,13-difluoro-10,12,12-trimethyl-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;12,12,13,13-tetrafluoro-17-methyl-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-tetrafluoro-10-methyl-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;12,12,13,13-tetrafluoro-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,12,13,13-tetrafluoro-17-(trideuteriomethyl)-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 10-deuterio-12,12,13,13-tetrafluoro-17-methyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12-dimethyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-difluoro-12,12-dimethyl-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;13,13-difluoro-10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12,17-trimethyl-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;13,13-difluoro-10,12,12-trimethyl-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;12,12,13,13-tetrafluoro-17-methyl-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-tetrafluoro-10-methyl-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;12,12,13,13-tetrafluoro-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,12,13,13-tetrafluoro-17-(trideuteriomethyl)-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)c2c(-c3ccccc3)nc3c4ccccc4c4cccc(c4n23)C1(F)F.Cc1ccc2c3c1c1ccccc1c1ccc(n13)C(F)(F)C2(F)F.Cc1ccc2c3c1c1ccccc1c1nc(-c4ccccc4)c(n13)C(C)(C)C2(F)F.Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1C(C)(C)C4(F)F.FC1(F)c2cccc3c4ccccc4c4nc(-c5ccccc5)c(n4c23)C1(F)F.[2H]C([2H])([2H])c1ccc2c3c1c1ccccc1c1ccc(n13)C(F)(F)C2(F)F.[2H]C([2H])([2H])c1ccc2c3c1c1ccccc1c1nc(-c4ccccc4)c(n13)C(C)(C)C2(F)F.[2H]C([2H])([2H])c1ccc2c3c1c1ccccc1c1nc(C)c(n13)C(C)(C)C2(F)F.[2H]C([2H])([2H])c1ccc2c3c1c1ccccc1c1nc(C)c(n13)C(F)(F)C2(F)F.[2H]c1nc2c3ccccc3c3c(C)ccc4c3n2c1C(F)(F)C4(F)F.

What is the InChIKey of 10-deuterio-12,12,13,13-tetrafluoro-17-methyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12-dimethyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-difluoro-12,12-dimethyl-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;13,13-difluoro-10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12,17-trimethyl-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;13,13-difluoro-10,12,12-trimethyl-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;12,12,13,13-tetrafluoro-17-methyl-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-tetrafluoro-10-methyl-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;12,12,13,13-tetrafluoro-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,12,13,13-tetrafluoro-17-(trideuteriomethyl)-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 MRIJJLSKUZIPTL-OZKYAFPYSA-N. The full InChI is InChI=1S/2C26H20F2N2.C25H18F2N2.C23H12F4N2.2C21H18F2N2.C19H12F4N2.2C19H11F4N.C18H10F4N2/c2*1-15-13-14-19-22-20(15)17-11-7-8-12-18(17)24-29-21(16-9-5-4-6-10-16)23(30(22)24)25(2,3)26(19,27)28;1-24(2)22-20(15-9-4-3-5-10-15)28-23-18-12-7-6-11-16(18)17-13-8-14-19(25(24,26)27)21(17)29(22)23;24-22(25)17-12-6-11-15-14-9-4-5-10-16(14)21-28-18(13-7-2-1-3-8-13)20(23(22,26)27)29(21)19(15)17;2*1-11-9-10-15-17-16(11)13-7-5-6-8-14(13)19-24-12(2)18(25(17)19)20(3,4)21(15,22)23;1-9-7-8-13-15-14(9)11-5-3-4-6-12(11)17-24-10(2)16(25(15)17)19(22,23)18(13,20)21;2*1-10-6-7-13-17-16(10)12-5-3-2-4-11(12)14-8-9-15(24(14)17)19(22,23)18(13,20)21;1-9-6-7-12-15-14(9)10-4-2-3-5-11(10)16-23-8-13(24(15)16)18(21,22)17(12,19)20/h2*4-14H,1-3H3;3-14H,1-2H3;1-12H;2*5-10H,1-4H3;3-8H,1-2H3;2*2-9H,1H3;2-8H,1H3/i1D3;;;;1D3;;2*1D3;;8D.

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

10-deuterio-12,12,13,13-tetrafluoro-17-methyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12-dimethyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-difluoro-12,12-dimethyl-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;13,13-difluoro-10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12,17-trimethyl-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;13,13-difluoro-10,12,12-trimethyl-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;12,12,13,13-tetrafluoro-17-methyl-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-tetrafluoro-10-methyl-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;12,12,13,13-tetrafluoro-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,12,13,13-tetrafluoro-17-(trideuteriomethyl)-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 3592.73 g/mol, XLogP of 60.58, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 10-deuterio-12,12,13,13-tetrafluoro-17-methyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12-dimethyl-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-difluoro-12,12-dimethyl-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;13,13-difluoro-10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13-difluoro-12,12,17-trimethyl-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;13,13-difluoro-10,12,12-trimethyl-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;12,12,13,13-tetrafluoro-17-methyl-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-tetrafluoro-10-methyl-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;12,12,13,13-tetrafluoro-10-phenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;12,12,13,13-tetrafluoro-17-(trideuteriomethyl)-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 159649084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).