14-[3-[3-(1,3-benzothiazol-2-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-(3-quinolin-2-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(3-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(4-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C376H230N20O8S — CID 158700674

About 14-[3-[3-(1,3-benzothiazol-2-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-(3-quinolin-2-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(3-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(4-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

14-[3-[3-(1,3-benzothiazol-2-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-(3-quinolin-2-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(3-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(4-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 158700674) has the molecular formula C376H230N20O8S and a molecular weight of 5188.17 g/mol. Its IUPAC name is 14-[3-[3-(1,3-benzothiazol-2-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-(3-quinolin-2-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(3-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(4-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-[3-[3-(1,3-benzothiazol-2-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-(3-quinolin-2-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(3-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(4-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 158700674
• Molecular Formula: C376H230N20O8S
• Molecular Weight: 5188.17 g/mol
• Exact Mass: 5183.79
• IUPAC Name: 14-[3-[3-(1,3-benzothiazol-2-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-(3-quinolin-2-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(3-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(4-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: c1ccc(-c2c3c(cc4c(-c5cccc(-c6ccc(-c7ccc8ccccc8n7)cc6)c5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5cccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5cccc(-c6ccc(-n7c(-c8ccccc8)nc8ccccc87)cc6)c5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5cccc(-c6ccc7ccccc7n6)c5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5cccc(-c6cccc(-c7ccc8ccccc8n7)c6)c5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5cccc(-c6cccc(-c7nc8ccccc8n7-c7ccccc7)c6)c5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5cccc(-c6cccc(-c7nc8ccccc8s7)c6)c5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5cccc(-c6cccc(-n7c(-c8ccccc8)nc8ccccc87)c6)c5)nc5ccccc5c24)oc2ccccc23)cc1
• InChI: InChI=1S/4C50H31N3O.2C46H28N2O.C44H26N2OS.C40H24N2O/c1-3-15-32(16-4-1)46-47-38-23-7-9-25-41(38)51-49(40(47)31-45-48(46)39-24-8-12-28-44(39)54-45)35-19-13-17-33(29-35)34-18-14-20-36(30-34)50-52-42-26-10-11-27-43(42)53(50)37-21-5-2-6-22-37;1-3-15-32(16-4-1)46-47-38-23-7-9-25-41(38)51-49(40(47)31-45-48(46)39-24-8-12-28-44(39)54-45)36-21-13-19-34(29-36)35-20-14-22-37(30-35)53-43-27-11-10-26-42(43)52-50(53)33-17-5-2-6-18-33;1-3-14-33(15-4-1)46-47-38-20-7-9-22-41(38)51-49(40(47)31-45-48(46)39-21-8-12-25-44(39)54-45)36-17-13-16-35(30-36)32-26-28-34(29-27-32)50-52-42-23-10-11-24-43(42)53(50)37-18-5-2-6-19-37;1-3-14-33(15-4-1)46-47-38-20-7-9-22-41(38)51-49(40(47)31-45-48(46)39-21-8-12-25-44(39)54-45)36-19-13-18-35(30-36)32-26-28-37(29-27-32)53-43-24-11-10-23-42(43)52-50(53)34-16-5-2-6-17-34;1-2-13-30(14-3-1)43-44-35-19-5-8-22-40(35)48-46(37(44)28-42-45(43)36-20-6-9-23-41(36)49-42)34-18-11-16-32(27-34)31-15-10-17-33(26-31)39-25-24-29-12-4-7-21-38(29)47-39;1-2-12-32(13-3-1)43-44-35-16-5-8-19-40(35)48-46(37(44)28-42-45(43)36-17-6-9-20-41(36)49-42)34-15-10-14-33(27-34)29-21-23-31(24-22-29)39-26-25-30-11-4-7-18-38(30)47-39;1-2-12-27(13-3-1)40-41-32-18-4-6-20-35(32)45-43(34(41)26-38-42(40)33-19-5-8-22-37(33)47-38)30-16-10-14-28(24-30)29-15-11-17-31(25-29)44-46-36-21-7-9-23-39(36)48-44;1-2-12-26(13-3-1)37-38-29-16-5-8-19-34(29)42-40(31(38)24-36-39(37)30-17-6-9-20-35(30)43-36)28-15-10-14-27(23-28)33-22-21-25-11-4-7-18-32(25)41-33/h4*1-31H;2*1-28H;1-26H;1-24H
• InChIKey: IHMUIEUYGBKAHN-UHFFFAOYSA-N
• XLogP: 101.59
• TPSA: 331.08 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 35
• Heavy Atoms: 405
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5188.17
LogP ≤ 5	101.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 14-[3-[3-(1,3-benzothiazol-2-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-(3-quinolin-2-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(3-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(4-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 14-[3-[3-(1,3-benzothiazol-2-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-(3-quinolin-2-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(3-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(4-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 158700674) is 14-[3-[3-(1,3-benzothiazol-2-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-(3-quinolin-2-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(3-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(4-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 14-[3-[3-(1,3-benzothiazol-2-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-(3-quinolin-2-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(3-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(4-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 14-[3-[3-(1,3-benzothiazol-2-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-(3-quinolin-2-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(3-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(4-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(-c2c3c(cc4c(-c5cccc(-c6ccc(-c7ccc8ccccc8n7)cc6)c5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5cccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5cccc(-c6ccc(-n7c(-c8ccccc8)nc8ccccc87)cc6)c5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5cccc(-c6ccc7ccccc7n6)c5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5cccc(-c6cccc(-c7ccc8ccccc8n7)c6)c5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5cccc(-c6cccc(-c7nc8ccccc8n7-c7ccccc7)c6)c5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5cccc(-c6cccc(-c7nc8ccccc8s7)c6)c5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5cccc(-c6cccc(-n7c(-c8ccccc8)nc8ccccc87)c6)c5)nc5ccccc5c24)oc2ccccc23)cc1.

What is the InChIKey of 14-[3-[3-(1,3-benzothiazol-2-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-(3-quinolin-2-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(3-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(4-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The InChIKey is IHMUIEUYGBKAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C50H31N3O.2C46H28N2O.C44H26N2OS.C40H24N2O/c1-3-15-32(16-4-1)46-47-38-23-7-9-25-41(38)51-49(40(47)31-45-48(46)39-24-8-12-28-44(39)54-45)35-19-13-17-33(29-35)34-18-14-20-36(30-34)50-52-42-26-10-11-27-43(42)53(50)37-21-5-2-6-22-37;1-3-15-32(16-4-1)46-47-38-23-7-9-25-41(38)51-49(40(47)31-45-48(46)39-24-8-12-28-44(39)54-45)36-21-13-19-34(29-36)35-20-14-22-37(30-35)53-43-27-11-10-26-42(43)52-50(53)33-17-5-2-6-18-33;1-3-14-33(15-4-1)46-47-38-20-7-9-22-41(38)51-49(40(47)31-45-48(46)39-21-8-12-25-44(39)54-45)36-17-13-16-35(30-36)32-26-28-34(29-27-32)50-52-42-23-10-11-24-43(42)53(50)37-18-5-2-6-19-37;1-3-14-33(15-4-1)46-47-38-20-7-9-22-41(38)51-49(40(47)31-45-48(46)39-21-8-12-25-44(39)54-45)36-19-13-18-35(30-36)32-26-28-37(29-27-32)53-43-24-11-10-23-42(43)52-50(53)34-16-5-2-6-17-34;1-2-13-30(14-3-1)43-44-35-19-5-8-22-40(35)48-46(37(44)28-42-45(43)36-20-6-9-23-41(36)49-42)34-18-11-16-32(27-34)31-15-10-17-33(26-31)39-25-24-29-12-4-7-21-38(29)47-39;1-2-12-32(13-3-1)43-44-35-16-5-8-19-40(35)48-46(37(44)28-42-45(43)36-17-6-9-20-41(36)49-42)34-15-10-14-33(27-34)29-21-23-31(24-22-29)39-26-25-30-11-4-7-18-38(30)47-39;1-2-12-27(13-3-1)40-41-32-18-4-6-20-35(32)45-43(34(41)26-38-42(40)33-19-5-8-22-37(33)47-38)30-16-10-14-28(24-30)29-15-11-17-31(25-29)44-46-36-21-7-9-23-39(36)48-44;1-2-12-26(13-3-1)37-38-29-16-5-8-19-34(29)42-40(31(38)24-36-39(37)30-17-6-9-20-35(30)43-36)28-15-10-14-27(23-28)33-22-21-25-11-4-7-18-32(25)41-33/h4*1-31H;2*1-28H;1-26H;1-24H.

What are the key properties of 14-[3-[3-(1,3-benzothiazol-2-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-(3-quinolin-2-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(3-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(4-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

14-[3-[3-(1,3-benzothiazol-2-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-(3-quinolin-2-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(3-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(4-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 5188.17 g/mol, XLogP of 101.59, 35 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-[3-(1,3-benzothiazol-2-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-(3-quinolin-2-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(3-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[3-(4-quinolin-2-ylphenyl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 158700674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).