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;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

C167H104N12O — CID 158185042

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;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

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;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 (PubChem CID 158185042) has the molecular formula C167H104N12O and a molecular weight of 2294.75 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;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.

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;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
• PubChem CID: 158185042
• Molecular Formula: C167H104N12O
• Molecular Weight: 2294.75 g/mol
• Exact Mass: 2292.85
• 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;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
• SMILES: c1ccc(-c2c(-c3ccc(-n4c5ccccc5c5c6ccccc6c6ccc7ccccc7c6c54)cc3)nc3ccccn23)cc1.c1ccc(-c2nc3ccccn3c2-c2ccc(-n3c4ccccc4c4c5ccccc5c5ccc6ccccc6c5c43)cc2)cc1.c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6ccc7ccccc7c6c54)cc3)o2)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccccc5c5c6ccccc6c6ccc7ccccc7c6c54)cc3)nc3ccccc32)cc1
• InChI: InChI=1S/3C43H27N3.C38H23N3O/c1-2-13-30(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;1-2-11-25(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*1-27H;1-23H
• InChIKey: FZATUOJFUHCNKG-UHFFFAOYSA-N
• XLogP: 43.66
• TPSA: 111.06 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2294.75
LogP ≤ 5	43.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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;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?

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;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 (CID 158185042) 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;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.

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;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?

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;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 is c1ccc(-c2c(-c3ccc(-n4c5ccccc5c5c6ccccc6c6ccc7ccccc7c6c54)cc3)nc3ccccn23)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;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?

The InChIKey is FZATUOJFUHCNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C43H27N3.C38H23N3O/c1-2-13-30(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;1-2-11-25(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*1-27H;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;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?

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;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 has a molecular weight of 2294.75 g/mol, XLogP of 43.66, 12 rotatable bonds, 0 hydrogen bond donors, and 13 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;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 is sourced from PubChem (CID 158185042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).