19-[3,5-bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;3-(9,9-dimethylfluoren-2-yl)-19-(2,3,4,5,6-pentafluorophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole;3-phenyl-19-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene

C276H165F14N11OS2 — CID 158870538

About 19-[3,5-bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;3-(9,9-dimethylfluoren-2-yl)-19-(2,3,4,5,6-pentafluorophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole;3-phenyl-19-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene

19-[3,5-bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;3-(9,9-dimethylfluoren-2-yl)-19-(2,3,4,5,6-pentafluorophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole;3-phenyl-19-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene (PubChem CID 158870538) has the molecular formula C276H165F14N11OS2 and a molecular weight of 3986.57 g/mol. Its IUPAC name is 19-[3,5-bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;3-(9,9-dimethylfluoren-2-yl)-19-(2,3,4,5,6-pentafluorophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole;3-phenyl-19-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 19-[3,5-bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;3-(9,9-dimethylfluoren-2-yl)-19-(2,3,4,5,6-pentafluorophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole;3-phenyl-19-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
• PubChem CID: 158870538
• Molecular Formula: C276H165F14N11OS2
• Molecular Weight: 3986.57 g/mol
• Exact Mass: 3983.27
• IUPAC Name: 19-[3,5-bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;3-(9,9-dimethylfluoren-2-yl)-19-(2,3,4,5,6-pentafluorophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole;3-phenyl-19-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5ccccc5c5cc(-c6c(F)c(F)c(F)c(F)c6F)c6ccccc6c5c43)cc21.Cc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3cc4c5ccccc5c5c6ccccc6n(-c6ccccc6)c5c4c4ccccc34)c2)cc1.Fc1cc(-c2cc(-c3cc(F)c(F)c(F)c3)cc(-c3cc4c5ccccc5c5c6ccccc6n(-c6ccccc6)c5c4c4ccccc34)c2)cc(F)c1F.[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc5c4c32)c([2H])c1[2H].c1ccc(-c2ccc(-c3ccc(-c4cc5c6ccccc6c6c7ccccc7n(-c7ccccc7)c6c5c5ccccc45)s3)s2)cc1.c1ccc(-c2nnc(-c3ccc(-c4cc5c6ccccc6c6c7ccccc7n(-c7ccccc7)c6c5c5ccccc45)cc3)o2)cc1
• InChI: InChI=1S/C50H32F3N.C48H25F6N.C45H26F5N.C45H28N4.C44H27N3O.C44H27NS2/c1-31-19-21-32(22-20-31)34-27-35(33-23-25-37(26-24-33)50(51,52)53)29-36(28-34)44-30-45-40-14-6-8-16-42(40)47-43-17-9-10-18-46(43)54(38-11-3-2-4-12-38)49(47)48(45)41-15-7-5-13-39(41)44;49-39-21-28(22-40(50)46(39)53)26-18-27(29-23-41(51)47(54)42(52)24-29)20-30(19-26)37-25-38-33-13-5-7-15-35(33)44-36-16-8-9-17-43(36)55(31-10-2-1-3-11-31)48(44)45(38)34-14-6-4-12-32(34)37;1-45(2)33-17-9-7-13-26(33)27-20-19-23(21-34(27)45)51-35-18-10-8-16-30(35)36-28-14-5-3-11-24(28)31-22-32(25-12-4-6-15-29(25)37(31)44(36)51)38-39(46)41(48)43(50)42(49)40(38)47;1-4-16-29(17-5-1)43-46-44(30-18-6-2-7-19-30)48-45(47-43)38-28-37-32-22-10-12-24-34(32)40-36-26-14-15-27-39(36)49(31-20-8-3-9-21-31)42(40)41(37)35-25-13-11-23-33(35)38;1-3-13-29(14-4-1)43-45-46-44(48-43)30-25-23-28(24-26-30)37-27-38-33-18-8-10-20-35(33)40-36-21-11-12-22-39(36)47(31-15-5-2-6-16-31)42(40)41(38)34-19-9-7-17-32(34)37;1-3-13-28(14-4-1)38-23-25-40(46-38)41-26-24-39(47-41)35-27-36-31-18-8-10-20-33(31)42-34-21-11-12-22-37(34)45(29-15-5-2-6-16-29)44(42)43(36)32-19-9-7-17-30(32)35/h2-30H,1H3;1-25H;3-22H,1-2H3;1-28H;1-27H;1-27H/i;;;3D,8D,9D,20D,21D
• InChIKey: JBTZXHTXNNFHCP-QSXCKFHVSA-N
• XLogP: 77.99
• TPSA: 107.17 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 304
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3986.57
LogP ≤ 5	77.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 19-[3,5-bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;3-(9,9-dimethylfluoren-2-yl)-19-(2,3,4,5,6-pentafluorophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole;3-phenyl-19-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene?

The IUPAC name of 19-[3,5-bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;3-(9,9-dimethylfluoren-2-yl)-19-(2,3,4,5,6-pentafluorophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole;3-phenyl-19-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene (CID 158870538) is 19-[3,5-bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;3-(9,9-dimethylfluoren-2-yl)-19-(2,3,4,5,6-pentafluorophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole;3-phenyl-19-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene.

What is the SMILES notation for 19-[3,5-bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;3-(9,9-dimethylfluoren-2-yl)-19-(2,3,4,5,6-pentafluorophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole;3-phenyl-19-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene?

The canonical SMILES for 19-[3,5-bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;3-(9,9-dimethylfluoren-2-yl)-19-(2,3,4,5,6-pentafluorophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole;3-phenyl-19-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5ccccc5c5cc(-c6c(F)c(F)c(F)c(F)c6F)c6ccccc6c5c43)cc21.Cc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3cc4c5ccccc5c5c6ccccc6n(-c6ccccc6)c5c4c4ccccc34)c2)cc1.Fc1cc(-c2cc(-c3cc(F)c(F)c(F)c3)cc(-c3cc4c5ccccc5c5c6ccccc6n(-c6ccccc6)c5c4c4ccccc34)c2)cc(F)c1F.[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc5c4c32)c([2H])c1[2H].c1ccc(-c2ccc(-c3ccc(-c4cc5c6ccccc6c6c7ccccc7n(-c7ccccc7)c6c5c5ccccc45)s3)s2)cc1.c1ccc(-c2nnc(-c3ccc(-c4cc5c6ccccc6c6c7ccccc7n(-c7ccccc7)c6c5c5ccccc45)cc3)o2)cc1.

What is the InChIKey of 19-[3,5-bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;3-(9,9-dimethylfluoren-2-yl)-19-(2,3,4,5,6-pentafluorophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole;3-phenyl-19-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene?

The InChIKey is JBTZXHTXNNFHCP-QSXCKFHVSA-N. The full InChI is InChI=1S/C50H32F3N.C48H25F6N.C45H26F5N.C45H28N4.C44H27N3O.C44H27NS2/c1-31-19-21-32(22-20-31)34-27-35(33-23-25-37(26-24-33)50(51,52)53)29-36(28-34)44-30-45-40-14-6-8-16-42(40)47-43-17-9-10-18-46(43)54(38-11-3-2-4-12-38)49(47)48(45)41-15-7-5-13-39(41)44;49-39-21-28(22-40(50)46(39)53)26-18-27(29-23-41(51)47(54)42(52)24-29)20-30(19-26)37-25-38-33-13-5-7-15-35(33)44-36-16-8-9-17-43(36)55(31-10-2-1-3-11-31)48(44)45(38)34-14-6-4-12-32(34)37;1-45(2)33-17-9-7-13-26(33)27-20-19-23(21-34(27)45)51-35-18-10-8-16-30(35)36-28-14-5-3-11-24(28)31-22-32(25-12-4-6-15-29(25)37(31)44(36)51)38-39(46)41(48)43(50)42(49)40(38)47;1-4-16-29(17-5-1)43-46-44(30-18-6-2-7-19-30)48-45(47-43)38-28-37-32-22-10-12-24-34(32)40-36-26-14-15-27-39(36)49(31-20-8-3-9-21-31)42(40)41(37)35-25-13-11-23-33(35)38;1-3-13-29(14-4-1)43-45-46-44(48-43)30-25-23-28(24-26-30)37-27-38-33-18-8-10-20-35(33)40-36-21-11-12-22-39(36)47(31-15-5-2-6-16-31)42(40)41(38)34-19-9-7-17-32(34)37;1-3-13-28(14-4-1)38-23-25-40(46-38)41-26-24-39(47-41)35-27-36-31-18-8-10-20-33(31)42-34-21-11-12-22-37(34)45(29-15-5-2-6-16-29)44(42)43(36)32-19-9-7-17-30(32)35/h2-30H,1H3;1-25H;3-22H,1-2H3;1-28H;1-27H;1-27H/i;;;3D,8D,9D,20D,21D;;.

What are the key properties of 19-[3,5-bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;3-(9,9-dimethylfluoren-2-yl)-19-(2,3,4,5,6-pentafluorophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole;3-phenyl-19-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene?

19-[3,5-bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;3-(9,9-dimethylfluoren-2-yl)-19-(2,3,4,5,6-pentafluorophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole;3-phenyl-19-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene has a molecular weight of 3986.57 g/mol, XLogP of 77.99, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[3,5-bis(3,4,5-trifluorophenyl)phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;3-(9,9-dimethylfluoren-2-yl)-19-(2,3,4,5,6-pentafluorophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2,3,4,5,6-pentadeuteriophenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;19-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-phenyl-5-[4-(3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-1,3,4-oxadiazole;3-phenyl-19-[5-(5-phenylthiophen-2-yl)thiophen-2-yl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 158870538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).