14-(4-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3,4-oxadiazole;9-phenyl-14-(4-quinolin-6-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

C366H227N23O3S — CID 159287749

About 14-(4-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3,4-oxadiazole;9-phenyl-14-(4-quinolin-6-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

14-(4-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3,4-oxadiazole;9-phenyl-14-(4-quinolin-6-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (PubChem CID 159287749) has the molecular formula C366H227N23O3S and a molecular weight of 5027.07 g/mol. Its IUPAC name is 14-(4-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3,4-oxadiazole;9-phenyl-14-(4-quinolin-6-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-(4-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3,4-oxadiazole;9-phenyl-14-(4-quinolin-6-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• PubChem CID: 159287749
• Molecular Formula: C366H227N23O3S
• Molecular Weight: 5027.07 g/mol
• Exact Mass: 5022.80
• IUPAC Name: 14-(4-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3,4-oxadiazole;9-phenyl-14-(4-quinolin-6-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• SMILES: c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5c6c6ccccc6n5-c5ccccc5)cc4)cc3)o2)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc35)cc2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3ccc(-c5nc6ccccc6o5)cc3)cc2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3ccc(-c5nc6ccccc6s5)cc3)cc2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3ccc5c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3ccc5ncccc5c3)cc2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3ccc5ncccc5n3)cc2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3cccc5c3oc3ccccc35)cc2)nc2ccccc24)cc1
• InChI: InChI=1S/C56H36N2.C55H34N2.C45H28N4O.C44H27N3O.C44H27N3S.C43H26N2O.C40H25N3.C39H24N4/c1-4-16-40(17-5-1)56(41-18-6-2-7-19-41)48-25-13-10-22-43(48)44-33-32-39(36-49(44)56)37-28-30-38(31-29-37)55-47-34-35-52-54(53(47)45-23-11-14-26-50(45)57-55)46-24-12-15-27-51(46)58(52)42-20-8-3-9-21-42;1-2-16-40(17-3-1)57-49-25-13-11-23-46(49)54-50(57)33-32-47-53(54)45-22-10-12-24-48(45)56-55(47)37-29-27-36(28-30-37)51-41-18-6-8-20-43(41)52(44-21-9-7-19-42(44)51)39-31-26-35-14-4-5-15-38(35)34-39;1-3-11-32(12-4-1)44-47-48-45(50-44)33-25-21-30(22-26-33)29-19-23-31(24-20-29)43-37-27-28-40-42(41(37)35-15-7-9-17-38(35)46-43)36-16-8-10-18-39(36)49(40)34-13-5-2-6-14-34;2*1-2-10-32(11-3-1)47-38-16-8-5-13-34(38)42-39(47)27-26-35-41(42)33-12-4-6-14-36(33)45-43(35)30-22-18-28(19-23-30)29-20-24-31(25-21-29)44-46-37-15-7-9-17-40(37)48-44;1-2-11-29(12-3-1)45-37-19-8-5-15-34(37)41-38(45)26-25-35-40(41)33-14-4-7-18-36(33)44-42(35)28-23-21-27(22-24-28)30-16-10-17-32-31-13-6-9-20-39(31)46-43(30)32;1-2-10-30(11-3-1)43-36-15-7-5-13-32(36)39-37(43)23-21-33-38(39)31-12-4-6-14-35(31)42-40(33)27-18-16-26(17-19-27)28-20-22-34-29(25-28)9-8-24-41-34;1-2-9-27(10-3-1)43-35-15-7-5-12-29(35)38-36(43)23-20-30-37(38)28-11-4-6-13-32(28)42-39(30)26-18-16-25(17-19-26)31-21-22-33-34(41-31)14-8-24-40-33/h1-36H;1-34H;1-28H;2*1-27H;1-26H;1-25H;1-24H
• InChIKey: KZSMKEKFENYETE-UHFFFAOYSA-N
• XLogP: 96.24
• TPSA: 272.21 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 393
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5027.07
LogP ≤ 5	96.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 14-(4-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3,4-oxadiazole;9-phenyl-14-(4-quinolin-6-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The IUPAC name of 14-(4-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3,4-oxadiazole;9-phenyl-14-(4-quinolin-6-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (CID 159287749) is 14-(4-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3,4-oxadiazole;9-phenyl-14-(4-quinolin-6-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

What is the SMILES notation for 14-(4-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3,4-oxadiazole;9-phenyl-14-(4-quinolin-6-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The canonical SMILES for 14-(4-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3,4-oxadiazole;9-phenyl-14-(4-quinolin-6-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5c6c6ccccc6n5-c5ccccc5)cc4)cc3)o2)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc35)cc2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3ccc(-c5nc6ccccc6o5)cc3)cc2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3ccc(-c5nc6ccccc6s5)cc3)cc2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3ccc5c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3ccc5ncccc5c3)cc2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3ccc5ncccc5n3)cc2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(-c3cccc5c3oc3ccccc35)cc2)nc2ccccc24)cc1.

What is the InChIKey of 14-(4-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3,4-oxadiazole;9-phenyl-14-(4-quinolin-6-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The InChIKey is KZSMKEKFENYETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2.C55H34N2.C45H28N4O.C44H27N3O.C44H27N3S.C43H26N2O.C40H25N3.C39H24N4/c1-4-16-40(17-5-1)56(41-18-6-2-7-19-41)48-25-13-10-22-43(48)44-33-32-39(36-49(44)56)37-28-30-38(31-29-37)55-47-34-35-52-54(53(47)45-23-11-14-26-50(45)57-55)46-24-12-15-27-51(46)58(52)42-20-8-3-9-21-42;1-2-16-40(17-3-1)57-49-25-13-11-23-46(49)54-50(57)33-32-47-53(54)45-22-10-12-24-48(45)56-55(47)37-29-27-36(28-30-37)51-41-18-6-8-20-43(41)52(44-21-9-7-19-42(44)51)39-31-26-35-14-4-5-15-38(35)34-39;1-3-11-32(12-4-1)44-47-48-45(50-44)33-25-21-30(22-26-33)29-19-23-31(24-20-29)43-37-27-28-40-42(41(37)35-15-7-9-17-38(35)46-43)36-16-8-10-18-39(36)49(40)34-13-5-2-6-14-34;2*1-2-10-32(11-3-1)47-38-16-8-5-13-34(38)42-39(47)27-26-35-41(42)33-12-4-6-14-36(33)45-43(35)30-22-18-28(19-23-30)29-20-24-31(25-21-29)44-46-37-15-7-9-17-40(37)48-44;1-2-11-29(12-3-1)45-37-19-8-5-15-34(37)41-38(45)26-25-35-40(41)33-14-4-7-18-36(33)44-42(35)28-23-21-27(22-24-28)30-16-10-17-32-31-13-6-9-20-39(31)46-43(30)32;1-2-10-30(11-3-1)43-36-15-7-5-13-32(36)39-37(43)23-21-33-38(39)31-12-4-6-14-35(31)42-40(33)27-18-16-26(17-19-27)28-20-22-34-29(25-28)9-8-24-41-34;1-2-9-27(10-3-1)43-35-15-7-5-12-29(35)38-36(43)23-20-30-37(38)28-11-4-6-13-32(28)42-39(30)26-18-16-25(17-19-26)31-21-22-33-34(41-31)14-8-24-40-33/h1-36H;1-34H;1-28H;2*1-27H;1-26H;1-25H;1-24H.

What are the key properties of 14-(4-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3,4-oxadiazole;9-phenyl-14-(4-quinolin-6-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

14-(4-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3,4-oxadiazole;9-phenyl-14-(4-quinolin-6-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene has a molecular weight of 5027.07 g/mol, XLogP of 96.24, 31 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(4-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3,4-oxadiazole;9-phenyl-14-(4-quinolin-6-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 159287749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).