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-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-3-(9,9'-spirobi[fluorene]-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;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;3-phenyl-19-(4-quinolin-3-ylphenyl)-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

C285H172F5N17OS2 — CID 159004922

About 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-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-3-(9,9'-spirobi[fluorene]-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;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;3-phenyl-19-(4-quinolin-3-ylphenyl)-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-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-3-(9,9'-spirobi[fluorene]-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;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;3-phenyl-19-(4-quinolin-3-ylphenyl)-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 159004922) has the molecular formula C285H172F5N17OS2 and a molecular weight of 4014.78 g/mol. Its IUPAC name is 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-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-3-(9,9'-spirobi[fluorene]-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;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;3-phenyl-19-(4-quinolin-3-ylphenyl)-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: 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-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-3-(9,9'-spirobi[fluorene]-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;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;3-phenyl-19-(4-quinolin-3-ylphenyl)-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: 159004922
• Molecular Formula: C285H172F5N17OS2
• Molecular Weight: 4014.78 g/mol
• Exact Mass: 4011.36
• IUPAC Name: 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-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-3-(9,9'-spirobi[fluorene]-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;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;3-phenyl-19-(4-quinolin-3-ylphenyl)-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.[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.c1ccc(-n2c3ccccc3c3c4ccccc4c4cc(-c5ccc(-c6cnc7ccccc7c6)cc5)c5ccccc5c4c32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-n3c4ccccc4c4c5ccccc5c5cc(-c6nc(-c7ccncc7)nc(-c7ccncc7)n6)c6ccccc6c5c43)cc21
• InChI: InChI=1S/C62H36N6.C45H26F5N.C45H28N4.C45H28N2.C44H27N3O.C44H27NS2/c1-3-18-46-40(13-1)49-36-50(61-66-59(37-27-31-63-32-28-37)65-60(67-61)38-29-33-64-34-30-38)41-14-2-4-19-47(41)57(49)58-56(46)48-20-8-12-24-55(48)68(58)39-25-26-45-44-17-7-11-23-53(44)62(54(45)35-39)51-21-9-5-15-42(51)43-16-6-10-22-52(43)62;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;1-2-13-33(14-3-1)47-42-21-11-9-19-38(42)43-37-18-8-6-16-35(37)40-27-39(34-15-5-7-17-36(34)44(40)45(43)47)30-24-22-29(23-25-30)32-26-31-12-4-10-20-41(31)46-28-32;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/h1-36H;3-22H,1-2H3;1-28H;1-28H;1-27H;1-27H/i;;3D,8D,9D,20D,21D
• InChIKey: JRUNOZQMICLIES-PVHXCHFFSA-N
• XLogP: 76.02
• TPSA: 184.51 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 310
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4014.78
LogP ≤ 5	76.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 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-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-3-(9,9'-spirobi[fluorene]-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;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;3-phenyl-19-(4-quinolin-3-ylphenyl)-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 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-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-3-(9,9'-spirobi[fluorene]-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;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;3-phenyl-19-(4-quinolin-3-ylphenyl)-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 159004922) is 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-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-3-(9,9'-spirobi[fluorene]-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;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;3-phenyl-19-(4-quinolin-3-ylphenyl)-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 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-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-3-(9,9'-spirobi[fluorene]-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;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;3-phenyl-19-(4-quinolin-3-ylphenyl)-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 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-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-3-(9,9'-spirobi[fluorene]-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;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;3-phenyl-19-(4-quinolin-3-ylphenyl)-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.[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.c1ccc(-n2c3ccccc3c3c4ccccc4c4cc(-c5ccc(-c6cnc7ccccc7c6)cc5)c5ccccc5c4c32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-n3c4ccccc4c4c5ccccc5c5cc(-c6nc(-c7ccncc7)nc(-c7ccncc7)n6)c6ccccc6c5c43)cc21.

What is the InChIKey of 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-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-3-(9,9'-spirobi[fluorene]-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;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;3-phenyl-19-(4-quinolin-3-ylphenyl)-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 JRUNOZQMICLIES-PVHXCHFFSA-N. The full InChI is InChI=1S/C62H36N6.C45H26F5N.C45H28N4.C45H28N2.C44H27N3O.C44H27NS2/c1-3-18-46-40(13-1)49-36-50(61-66-59(37-27-31-63-32-28-37)65-60(67-61)38-29-33-64-34-30-38)41-14-2-4-19-47(41)57(49)58-56(46)48-20-8-12-24-55(48)68(58)39-25-26-45-44-17-7-11-23-53(44)62(54(45)35-39)51-21-9-5-15-42(51)43-16-6-10-22-52(43)62;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;1-2-13-33(14-3-1)47-42-21-11-9-19-38(42)43-37-18-8-6-16-35(37)40-27-39(34-15-5-7-17-36(34)44(40)45(43)47)30-24-22-29(23-25-30)32-26-31-12-4-10-20-41(31)46-28-32;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/h1-36H;3-22H,1-2H3;1-28H;1-28H;1-27H;1-27H/i;;3D,8D,9D,20D,21D;;;.

What are the key properties of 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-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-3-(9,9'-spirobi[fluorene]-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;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;3-phenyl-19-(4-quinolin-3-ylphenyl)-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-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-3-(9,9'-spirobi[fluorene]-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;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;3-phenyl-19-(4-quinolin-3-ylphenyl)-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 4014.78 g/mol, XLogP of 76.02, 21 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-3-(9,9'-spirobi[fluorene]-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;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;3-phenyl-19-(4-quinolin-3-ylphenyl)-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 159004922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).