2-[4-(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-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;4-methyl-N-(4-methylphenyl)-N-[4-(19-naphthalen-1-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-dodecaen-3-yl)phenyl]aniline;N-[4-(19-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-3-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;3-[4-(1-phenylbenzimidazol-2-yl)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-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)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-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)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-[4-(3-phenylimidazo[1,2-a]pyrimidin-2-yl)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;19-phenyl-3-(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

C354H226N24O — CID 157285446

About 2-[4-(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-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;4-methyl-N-(4-methylphenyl)-N-[4-(19-naphthalen-1-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-dodecaen-3-yl)phenyl]aniline;N-[4-(19-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-3-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;3-[4-(1-phenylbenzimidazol-2-yl)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-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)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-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)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-[4-(3-phenylimidazo[1,2-a]pyrimidin-2-yl)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;19-phenyl-3-(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

2-[4-(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-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;4-methyl-N-(4-methylphenyl)-N-[4-(19-naphthalen-1-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-dodecaen-3-yl)phenyl]aniline;N-[4-(19-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-3-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;3-[4-(1-phenylbenzimidazol-2-yl)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-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)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-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)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-[4-(3-phenylimidazo[1,2-a]pyrimidin-2-yl)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;19-phenyl-3-(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 157285446) has the molecular formula C354H226N24O and a molecular weight of 4831.87 g/mol. Its IUPAC name is 2-[4-(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-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;4-methyl-N-(4-methylphenyl)-N-[4-(19-naphthalen-1-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-dodecaen-3-yl)phenyl]aniline;N-[4-(19-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-3-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;3-[4-(1-phenylbenzimidazol-2-yl)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-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)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-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)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-[4-(3-phenylimidazo[1,2-a]pyrimidin-2-yl)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;19-phenyl-3-(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: 2-[4-(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-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;4-methyl-N-(4-methylphenyl)-N-[4-(19-naphthalen-1-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-dodecaen-3-yl)phenyl]aniline;N-[4-(19-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-3-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;3-[4-(1-phenylbenzimidazol-2-yl)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-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)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-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)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-[4-(3-phenylimidazo[1,2-a]pyrimidin-2-yl)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;19-phenyl-3-(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: 157285446
• Molecular Formula: C354H226N24O
• Molecular Weight: 4831.87 g/mol
• Exact Mass: 4827.84
• IUPAC Name: 2-[4-(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-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;4-methyl-N-(4-methylphenyl)-N-[4-(19-naphthalen-1-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-dodecaen-3-yl)phenyl]aniline;N-[4-(19-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-3-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;3-[4-(1-phenylbenzimidazol-2-yl)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-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)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-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)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-[4-(3-phenylimidazo[1,2-a]pyrimidin-2-yl)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;19-phenyl-3-(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: Cc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c4ccccc4c4c5ccccc5c5cc(-c6cccc7ccccc67)c6ccccc6c5c43)cc2)cc1.c1ccc(-c2c(-c3ccc(-n4c5ccccc5c5c6ccccc6c6ccc7ccccc7c6c54)cc3)nc3ccccn23)cc1.c1ccc(-c2c(-c3ccc(-n4c5ccccc5c5c6ccccc6c6ccc7ccccc7c6c54)cc3)nc3ncccn23)cc1.c1ccc(-c2cc3c4ccccc4c4c5ccccc5n(-c5ccc(-c6cnc7ccccc7c6)cc5)c4c3c3ccccc23)cc1.c1ccc(-c2cc3c4ccccc4c4c5ccccc5n(-c5ccc(N(c6ccncc6)c6ccncc6)cc5)c4c3c3ccccc23)cc1.c1ccc(-c2nc3ccccn3c2-c2ccc(-n3c4ccccc4c4c5ccccc5c5ccc6ccccc6c5c43)cc2)cc1.c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6ccc7ccccc7c6c54)cc3)o2)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccccc5c5c6ccccc6c6ccc7ccccc7c6c54)cc3)nc3ccccc32)cc1
• InChI: InChI=1S/C54H38N2.C46H30N4.C45H28N2.3C43H27N3.C42H26N4.C38H23N3O/c1-35-22-26-38(27-23-35)55(39-28-24-36(2)25-29-39)40-30-32-41(33-31-40)56-51-21-10-9-19-48(51)52-47-18-8-6-16-45(47)50-34-49(43-20-11-13-37-12-3-4-14-42(37)43)44-15-5-7-17-46(44)53(50)54(52)56;1-2-10-31(11-3-1)41-30-42-37-13-5-7-15-39(37)44-40-16-8-9-17-43(40)50(46(44)45(42)38-14-6-4-12-36(38)41)33-20-18-32(19-21-33)49(34-22-26-47-27-23-34)35-24-28-48-29-25-35;1-2-12-30(13-3-1)39-27-40-35-16-6-8-18-37(35)43-38-19-9-11-21-42(38)47(45(43)44(40)36-17-7-5-15-34(36)39)33-24-22-29(23-25-33)32-26-31-14-4-10-20-41(31)46-28-32;1-2-13-30(14-3-1)46-39-21-11-9-19-37(39)44-43(46)29-22-25-31(26-23-29)45-38-20-10-8-18-36(38)41-34-17-7-6-16-33(34)35-27-24-28-12-4-5-15-32(28)40(35)42(41)45;1-2-13-30(14-3-1)42-41(44-38-20-10-11-27-45(38)42)29-21-24-31(25-22-29)46-37-19-9-8-18-36(37)40-34-17-7-6-16-33(34)35-26-23-28-12-4-5-15-32(28)39(35)43(40)46;1-2-13-29(14-3-1)41-42(45-27-11-10-20-38(45)44-41)30-21-24-31(25-22-30)46-37-19-9-8-18-36(37)40-34-17-7-6-16-33(34)35-26-23-28-12-4-5-15-32(28)39(35)43(40)46;1-2-12-29(13-3-1)40-39(44-42-43-25-10-26-45(40)42)28-19-22-30(23-20-28)46-36-18-9-8-17-35(36)38-33-16-7-6-15-32(33)34-24-21-27-11-4-5-14-31(27)37(34)41(38)46;1-2-11-25(12-3-1)37-39-40-38(42-37)26-18-21-27(22-19-26)41-33-17-9-8-16-32(33)35-30-15-7-6-14-29(30)31-23-20-24-10-4-5-13-28(24)34(31)36(35)41/h3-34H,1-2H3;1-30H;1-28H;3*1-27H;1-26H;1-23H
• InChIKey: BAEHNYRJLBZTOW-UHFFFAOYSA-N
• XLogP: 93.73
• TPSA: 206.12 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 379
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4831.87
LogP ≤ 5	93.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[4-(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-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;4-methyl-N-(4-methylphenyl)-N-[4-(19-naphthalen-1-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-dodecaen-3-yl)phenyl]aniline;N-[4-(19-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-3-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;3-[4-(1-phenylbenzimidazol-2-yl)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-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)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-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)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-[4-(3-phenylimidazo[1,2-a]pyrimidin-2-yl)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;19-phenyl-3-(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 2-[4-(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-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;4-methyl-N-(4-methylphenyl)-N-[4-(19-naphthalen-1-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-dodecaen-3-yl)phenyl]aniline;N-[4-(19-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-3-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;3-[4-(1-phenylbenzimidazol-2-yl)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-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)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-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)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-[4-(3-phenylimidazo[1,2-a]pyrimidin-2-yl)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;19-phenyl-3-(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 157285446) is 2-[4-(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-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;4-methyl-N-(4-methylphenyl)-N-[4-(19-naphthalen-1-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-dodecaen-3-yl)phenyl]aniline;N-[4-(19-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-3-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;3-[4-(1-phenylbenzimidazol-2-yl)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-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)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-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)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-[4-(3-phenylimidazo[1,2-a]pyrimidin-2-yl)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;19-phenyl-3-(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 2-[4-(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-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;4-methyl-N-(4-methylphenyl)-N-[4-(19-naphthalen-1-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-dodecaen-3-yl)phenyl]aniline;N-[4-(19-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-3-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;3-[4-(1-phenylbenzimidazol-2-yl)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-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)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-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)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-[4-(3-phenylimidazo[1,2-a]pyrimidin-2-yl)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;19-phenyl-3-(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 2-[4-(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-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;4-methyl-N-(4-methylphenyl)-N-[4-(19-naphthalen-1-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-dodecaen-3-yl)phenyl]aniline;N-[4-(19-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-3-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;3-[4-(1-phenylbenzimidazol-2-yl)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-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)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-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)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-[4-(3-phenylimidazo[1,2-a]pyrimidin-2-yl)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;19-phenyl-3-(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 Cc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c4ccccc4c4c5ccccc5c5cc(-c6cccc7ccccc67)c6ccccc6c5c43)cc2)cc1.c1ccc(-c2c(-c3ccc(-n4c5ccccc5c5c6ccccc6c6ccc7ccccc7c6c54)cc3)nc3ccccn23)cc1.c1ccc(-c2c(-c3ccc(-n4c5ccccc5c5c6ccccc6c6ccc7ccccc7c6c54)cc3)nc3ncccn23)cc1.c1ccc(-c2cc3c4ccccc4c4c5ccccc5n(-c5ccc(-c6cnc7ccccc7c6)cc5)c4c3c3ccccc23)cc1.c1ccc(-c2cc3c4ccccc4c4c5ccccc5n(-c5ccc(N(c6ccncc6)c6ccncc6)cc5)c4c3c3ccccc23)cc1.c1ccc(-c2nc3ccccn3c2-c2ccc(-n3c4ccccc4c4c5ccccc5c5ccc6ccccc6c5c43)cc2)cc1.c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6ccc7ccccc7c6c54)cc3)o2)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccccc5c5c6ccccc6c6ccc7ccccc7c6c54)cc3)nc3ccccc32)cc1.

What is the InChIKey of 2-[4-(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-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;4-methyl-N-(4-methylphenyl)-N-[4-(19-naphthalen-1-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-dodecaen-3-yl)phenyl]aniline;N-[4-(19-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-3-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;3-[4-(1-phenylbenzimidazol-2-yl)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-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)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-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)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-[4-(3-phenylimidazo[1,2-a]pyrimidin-2-yl)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;19-phenyl-3-(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 BAEHNYRJLBZTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2.C46H30N4.C45H28N2.3C43H27N3.C42H26N4.C38H23N3O/c1-35-22-26-38(27-23-35)55(39-28-24-36(2)25-29-39)40-30-32-41(33-31-40)56-51-21-10-9-19-48(51)52-47-18-8-6-16-45(47)50-34-49(43-20-11-13-37-12-3-4-14-42(37)43)44-15-5-7-17-46(44)53(50)54(52)56;1-2-10-31(11-3-1)41-30-42-37-13-5-7-15-39(37)44-40-16-8-9-17-43(40)50(46(44)45(42)38-14-6-4-12-36(38)41)33-20-18-32(19-21-33)49(34-22-26-47-27-23-34)35-24-28-48-29-25-35;1-2-12-30(13-3-1)39-27-40-35-16-6-8-18-37(35)43-38-19-9-11-21-42(38)47(45(43)44(40)36-17-7-5-15-34(36)39)33-24-22-29(23-25-33)32-26-31-14-4-10-20-41(31)46-28-32;1-2-13-30(14-3-1)46-39-21-11-9-19-37(39)44-43(46)29-22-25-31(26-23-29)45-38-20-10-8-18-36(38)41-34-17-7-6-16-33(34)35-27-24-28-12-4-5-15-32(28)40(35)42(41)45;1-2-13-30(14-3-1)42-41(44-38-20-10-11-27-45(38)42)29-21-24-31(25-22-29)46-37-19-9-8-18-36(37)40-34-17-7-6-16-33(34)35-26-23-28-12-4-5-15-32(28)39(35)43(40)46;1-2-13-29(14-3-1)41-42(45-27-11-10-20-38(45)44-41)30-21-24-31(25-22-30)46-37-19-9-8-18-36(37)40-34-17-7-6-16-33(34)35-26-23-28-12-4-5-15-32(28)39(35)43(40)46;1-2-12-29(13-3-1)40-39(44-42-43-25-10-26-45(40)42)28-19-22-30(23-20-28)46-36-18-9-8-17-35(36)38-33-16-7-6-15-32(33)34-24-21-27-11-4-5-14-31(27)37(34)41(38)46;1-2-11-25(12-3-1)37-39-40-38(42-37)26-18-21-27(22-19-26)41-33-17-9-8-16-32(33)35-30-15-7-6-14-29(30)31-23-20-24-10-4-5-13-28(24)34(31)36(35)41/h3-34H,1-2H3;1-30H;1-28H;3*1-27H;1-26H;1-23H.

What are the key properties of 2-[4-(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-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;4-methyl-N-(4-methylphenyl)-N-[4-(19-naphthalen-1-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-dodecaen-3-yl)phenyl]aniline;N-[4-(19-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-3-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;3-[4-(1-phenylbenzimidazol-2-yl)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-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)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-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)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-[4-(3-phenylimidazo[1,2-a]pyrimidin-2-yl)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;19-phenyl-3-(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?

2-[4-(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-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;4-methyl-N-(4-methylphenyl)-N-[4-(19-naphthalen-1-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-dodecaen-3-yl)phenyl]aniline;N-[4-(19-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-3-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;3-[4-(1-phenylbenzimidazol-2-yl)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-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)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-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)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-[4-(3-phenylimidazo[1,2-a]pyrimidin-2-yl)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;19-phenyl-3-(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 4831.87 g/mol, XLogP of 93.73, 28 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(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-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;4-methyl-N-(4-methylphenyl)-N-[4-(19-naphthalen-1-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-dodecaen-3-yl)phenyl]aniline;N-[4-(19-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-3-yl)phenyl]-N-pyridin-4-ylpyridin-4-amine;3-[4-(1-phenylbenzimidazol-2-yl)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-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)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-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)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-[4-(3-phenylimidazo[1,2-a]pyrimidin-2-yl)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;19-phenyl-3-(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 157285446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).