14-[3-[3-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

C393H252N30O10 — CID 161225176

About 14-[3-[3-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

14-[3-[3-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (PubChem CID 161225176) has the molecular formula C393H252N30O10 and a molecular weight of 5554.54 g/mol. Its IUPAC name is 14-[3-[3-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-[3-[3-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
• PubChem CID: 161225176
• Molecular Formula: C393H252N30O10
• Molecular Weight: 5554.54 g/mol
• Exact Mass: 5550.01
• IUPAC Name: 14-[3-[3-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
• SMILES: CCN1c2ccccc2NC1c1ccc(-c2cccc(-c3nc4ccccc4c4c3ccc3c5ccccc5oc34)c2)cc1.CCN1c2ccccc2NC1c1cccc(-c2nc3ccccc3c3c2ccc2c4ccccc4oc23)c1.CCc1nc2ccccc2n1-c1ccc(-c2cccc(-c3nc4ccccc4c4c3ccc3c5ccccc5oc34)c2)cc1.CCn1c(-c2cccc(-c3cccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)c3)c2)nc2ccccc21.c1cc(-c2ccc(-c3cn4ccccc4n3)cc2)cc(-c2nc3ccccc3c3c2ccc2c4ccccc4oc23)c1.c1cc(-c2cccc(-c3nc4ccccc4c4c3ccc3c5ccccc5oc34)c2)cc(-c2ccc3ccc4cccnc4c3n2)c1.c1cc(-c2cccc(-c3nc4ccccc4c4c3ccc3c5ccccc5oc34)c2)cc(-c2cn3ccccc3n2)c1.c1ccc(-c2cn3cc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)c4)ccc3n2)cc1.c1ccc(-c2cn3ccc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)c4)cc3n2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)c3)cc2)cc1
• InChI: InChI=1S/C44H27N3O.C43H25N3O.C40H27N3O.C40H29N3O.C40H27N3O.4C38H23N3O.C34H25N3O/c1-2-11-29(12-3-1)44-46-38-18-7-8-19-39(38)47(44)32-23-21-28(22-24-32)30-13-10-14-31(27-30)42-36-26-25-34-33-15-5-9-20-40(33)48-43(34)41(36)35-16-4-6-17-37(35)45-42;1-3-15-37-34(14-1)39-35(21-20-33-32-13-2-4-16-38(32)47-43(33)39)40(46-37)31-11-6-9-29(25-31)28-8-5-10-30(24-28)36-22-19-27-18-17-26-12-7-23-44-41(26)42(27)45-36;1-2-43-35-19-7-6-18-34(35)42-40(43)28-14-10-12-26(24-28)25-11-9-13-27(23-25)38-32-22-21-30-29-15-4-8-20-36(29)44-39(30)37(32)31-16-3-5-17-33(31)41-38;1-2-43-35-16-7-6-15-34(35)42-40(43)26-20-18-25(19-21-26)27-10-9-11-28(24-27)38-32-23-22-30-29-12-4-8-17-36(29)44-39(30)37(32)31-13-3-5-14-33(31)41-38;1-2-37-41-34-15-6-7-16-35(34)43(37)28-20-18-25(19-21-28)26-10-9-11-27(24-26)39-32-23-22-30-29-12-4-8-17-36(29)44-40(30)38(32)31-13-3-5-14-33(31)42-39;1-3-15-32-30(14-1)36-31(19-18-29-28-13-2-4-16-34(28)42-38(29)36)37(40-32)27-12-8-10-25(22-27)24-9-7-11-26(21-24)33-23-41-20-6-5-17-35(41)39-33;1-3-12-32-30(11-1)36-31(20-19-29-28-10-2-4-13-34(28)42-38(29)36)37(40-32)27-9-7-8-26(22-27)24-15-17-25(18-16-24)33-23-41-21-6-5-14-35(41)39-33;1-2-9-24(10-3-1)33-23-41-22-27(17-20-35(41)39-33)25-11-8-12-26(21-25)37-31-19-18-29-28-13-5-7-16-34(28)42-38(29)36(31)30-14-4-6-15-32(30)40-37;1-2-9-24(10-3-1)33-23-41-20-19-26(22-35(41)39-33)25-11-8-12-27(21-25)37-31-18-17-29-28-13-5-7-16-34(28)42-38(29)36(31)30-14-4-6-15-32(30)40-37;1-2-37-29-16-7-6-15-28(29)36-34(37)22-11-9-10-21(20-22)32-26-19-18-24-23-12-4-8-17-30(23)38-33(24)31(26)25-13-3-5-14-27(25)35-32/h1-27H;1-25H;3-24H,2H2,1H3;3-24,40,42H,2H2,1H3;3-24H,2H2,1H3;4*1-23H;3-20,34,36H,2H2,1H3
• InChIKey: UYAGONCGGZFGKM-UHFFFAOYSA-N
• XLogP: 103.41
• TPSA: 439.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 34
• Heavy Atoms: 433
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5554.54
LogP ≤ 5	103.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 14-[3-[3-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The IUPAC name of 14-[3-[3-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (CID 161225176) is 14-[3-[3-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

What is the SMILES notation for 14-[3-[3-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The canonical SMILES for 14-[3-[3-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is CCN1c2ccccc2NC1c1ccc(-c2cccc(-c3nc4ccccc4c4c3ccc3c5ccccc5oc34)c2)cc1.CCN1c2ccccc2NC1c1cccc(-c2nc3ccccc3c3c2ccc2c4ccccc4oc23)c1.CCc1nc2ccccc2n1-c1ccc(-c2cccc(-c3nc4ccccc4c4c3ccc3c5ccccc5oc34)c2)cc1.CCn1c(-c2cccc(-c3cccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)c3)c2)nc2ccccc21.c1cc(-c2ccc(-c3cn4ccccc4n3)cc2)cc(-c2nc3ccccc3c3c2ccc2c4ccccc4oc23)c1.c1cc(-c2cccc(-c3nc4ccccc4c4c3ccc3c5ccccc5oc34)c2)cc(-c2ccc3ccc4cccnc4c3n2)c1.c1cc(-c2cccc(-c3nc4ccccc4c4c3ccc3c5ccccc5oc34)c2)cc(-c2cn3ccccc3n2)c1.c1ccc(-c2cn3cc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)c4)ccc3n2)cc1.c1ccc(-c2cn3ccc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)c4)cc3n2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)c3)cc2)cc1.

What is the InChIKey of 14-[3-[3-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The InChIKey is UYAGONCGGZFGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3O.C43H25N3O.C40H27N3O.C40H29N3O.C40H27N3O.4C38H23N3O.C34H25N3O/c1-2-11-29(12-3-1)44-46-38-18-7-8-19-39(38)47(44)32-23-21-28(22-24-32)30-13-10-14-31(27-30)42-36-26-25-34-33-15-5-9-20-40(33)48-43(34)41(36)35-16-4-6-17-37(35)45-42;1-3-15-37-34(14-1)39-35(21-20-33-32-13-2-4-16-38(32)47-43(33)39)40(46-37)31-11-6-9-29(25-31)28-8-5-10-30(24-28)36-22-19-27-18-17-26-12-7-23-44-41(26)42(27)45-36;1-2-43-35-19-7-6-18-34(35)42-40(43)28-14-10-12-26(24-28)25-11-9-13-27(23-25)38-32-22-21-30-29-15-4-8-20-36(29)44-39(30)37(32)31-16-3-5-17-33(31)41-38;1-2-43-35-16-7-6-15-34(35)42-40(43)26-20-18-25(19-21-26)27-10-9-11-28(24-27)38-32-23-22-30-29-12-4-8-17-36(29)44-39(30)37(32)31-13-3-5-14-33(31)41-38;1-2-37-41-34-15-6-7-16-35(34)43(37)28-20-18-25(19-21-28)26-10-9-11-27(24-26)39-32-23-22-30-29-12-4-8-17-36(29)44-40(30)38(32)31-13-3-5-14-33(31)42-39;1-3-15-32-30(14-1)36-31(19-18-29-28-13-2-4-16-34(28)42-38(29)36)37(40-32)27-12-8-10-25(22-27)24-9-7-11-26(21-24)33-23-41-20-6-5-17-35(41)39-33;1-3-12-32-30(11-1)36-31(20-19-29-28-10-2-4-13-34(28)42-38(29)36)37(40-32)27-9-7-8-26(22-27)24-15-17-25(18-16-24)33-23-41-21-6-5-14-35(41)39-33;1-2-9-24(10-3-1)33-23-41-22-27(17-20-35(41)39-33)25-11-8-12-26(21-25)37-31-19-18-29-28-13-5-7-16-34(28)42-38(29)36(31)30-14-4-6-15-32(30)40-37;1-2-9-24(10-3-1)33-23-41-20-19-26(22-35(41)39-33)25-11-8-12-27(21-25)37-31-18-17-29-28-13-5-7-16-34(28)42-38(29)36(31)30-14-4-6-15-32(30)40-37;1-2-37-29-16-7-6-15-28(29)36-34(37)22-11-9-10-21(20-22)32-26-19-18-24-23-12-4-8-17-30(23)38-33(24)31(26)25-13-3-5-14-27(25)35-32/h1-27H;1-25H;3-24H,2H2,1H3;3-24,40,42H,2H2,1H3;3-24H,2H2,1H3;4*1-23H;3-20,34,36H,2H2,1H3.

What are the key properties of 14-[3-[3-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

14-[3-[3-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene has a molecular weight of 5554.54 g/mol, XLogP of 103.41, 34 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-[3-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 161225176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).