22-dibenzofuran-2-yl-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-dibenzothiophen-2-ylphenyl)-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;3-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;8-phenyl-22-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(6-pyridin-2-yl-3-pyridinyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(4-triphenylen-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

C351H227N25OS — CID 158328769

About 22-dibenzofuran-2-yl-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-dibenzothiophen-2-ylphenyl)-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;3-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;8-phenyl-22-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(6-pyridin-2-yl-3-pyridinyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(4-triphenylen-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

22-dibenzofuran-2-yl-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-dibenzothiophen-2-ylphenyl)-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;3-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;8-phenyl-22-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(6-pyridin-2-yl-3-pyridinyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(4-triphenylen-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (PubChem CID 158328769) has the molecular formula C351H227N25OS and a molecular weight of 4842.92 g/mol. Its IUPAC name is 22-dibenzofuran-2-yl-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-dibenzothiophen-2-ylphenyl)-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;3-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;8-phenyl-22-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(6-pyridin-2-yl-3-pyridinyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(4-triphenylen-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

Molecular Properties

• Compound Name: 22-dibenzofuran-2-yl-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-dibenzothiophen-2-ylphenyl)-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;3-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;8-phenyl-22-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(6-pyridin-2-yl-3-pyridinyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(4-triphenylen-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• PubChem CID: 158328769
• Molecular Formula: C351H227N25OS
• Molecular Weight: 4842.92 g/mol
• Exact Mass: 4838.82
• IUPAC Name: 22-dibenzofuran-2-yl-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-dibenzothiophen-2-ylphenyl)-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;3-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;8-phenyl-22-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(6-pyridin-2-yl-3-pyridinyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(4-triphenylen-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• SMILES: N#Cc1cccc(-c2ccc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccccc3)c3ccccc3-4)cc2)c1.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6c(c7ccccc75)-c5ccccc5N(c5ccccc5)c5ccccc5-6)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccccc3)c3ccccc3-4)nc3ccccc23)cc1.c1ccc(N2c3ccccc3-c3c(n(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccccc34)-c3ccccc32)cc1.c1ccc(N2c3ccccc3-c3c(n(-c4ccc(-c5ccccn5)nc4)c4ccccc34)-c3ccccc32)cc1.c1ccc(N2c3ccccc3-c3c(n(-c4ccc5oc6ccccc6c5c4)c4ccccc34)-c3ccccc32)cc1.c1ccc(N2c3ccccc3-c3c(n(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c4ccccc34)-c3ccccc32)cc1.c1ccc(N2c3ccccc3-c3c(n(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5n4)c4ccccc34)-c3ccccc32)cc1
• InChI: InChI=1S/C54H36N4.C50H32N4.C50H32N2.C44H28N2S.C40H26N4.C39H25N3.C38H24N2O.C36H24N4/c1-4-16-39(17-5-1)47-36-48(56-54(55-47)41-18-6-2-7-19-41)40-30-28-37(29-31-40)38-32-34-43(35-33-38)58-50-26-14-11-23-45(50)52-44-22-10-13-25-49(44)57(42-20-8-3-9-21-42)51-27-15-12-24-46(51)53(52)58;1-2-17-36(18-3-1)53-44-26-11-7-21-40(44)47-41-22-8-12-27-45(41)54(49(47)42-23-9-13-28-46(42)53)50-51-43-25-10-6-20-39(43)48(52-50)35-31-29-34(30-32-35)38-24-14-16-33-15-4-5-19-37(33)38;1-2-14-35(15-3-1)51-46-23-11-8-20-42(46)49-43-21-9-12-24-47(43)52(50(49)44-22-10-13-25-48(44)51)36-29-26-33(27-30-36)34-28-31-41-39-18-5-4-16-37(39)38-17-6-7-19-40(38)45(41)32-34;1-2-14-31(15-3-1)45-38-21-8-4-18-34(38)43-35-19-5-9-22-39(35)46(44(43)36-20-6-10-23-40(36)45)32-16-12-13-29(27-32)30-25-26-42-37(28-30)33-17-7-11-24-41(33)47-42;1-3-15-27(16-4-1)38-29-19-7-11-23-33(29)41-40(42-38)44-35-25-13-9-21-31(35)37-30-20-8-12-24-34(30)43(28-17-5-2-6-18-28)36-26-14-10-22-32(36)39(37)44;40-26-27-11-10-12-29(25-27)28-21-23-31(24-22-28)42-36-19-8-5-16-33(36)38-32-15-4-7-18-35(32)41(30-13-2-1-3-14-30)37-20-9-6-17-34(37)39(38)42;1-2-12-25(13-3-1)39-32-18-8-4-15-28(32)37-29-16-5-9-19-33(29)40(38(37)30-17-6-10-20-34(30)39)26-22-23-36-31(24-26)27-14-7-11-21-35(27)41-36;1-2-12-25(13-3-1)39-32-18-7-4-14-27(32)35-28-15-5-8-19-33(28)40(36(35)29-16-6-9-20-34(29)39)26-21-22-31(38-24-26)30-17-10-11-23-37-30/h1-36H;1-32H;1-32H;1-28H;1-26H;1-25H;1-24H;1-24H
• InChIKey: GPSYWKHNCDLQIM-UHFFFAOYSA-N
• XLogP: 94.54
• TPSA: 205.41 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 378
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4842.92
LogP ≤ 5	94.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 22-dibenzofuran-2-yl-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-dibenzothiophen-2-ylphenyl)-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;3-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;8-phenyl-22-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(6-pyridin-2-yl-3-pyridinyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(4-triphenylen-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The IUPAC name of 22-dibenzofuran-2-yl-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-dibenzothiophen-2-ylphenyl)-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;3-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;8-phenyl-22-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(6-pyridin-2-yl-3-pyridinyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(4-triphenylen-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (CID 158328769) is 22-dibenzofuran-2-yl-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-dibenzothiophen-2-ylphenyl)-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;3-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;8-phenyl-22-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(6-pyridin-2-yl-3-pyridinyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(4-triphenylen-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

What is the SMILES notation for 22-dibenzofuran-2-yl-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-dibenzothiophen-2-ylphenyl)-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;3-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;8-phenyl-22-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(6-pyridin-2-yl-3-pyridinyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(4-triphenylen-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The canonical SMILES for 22-dibenzofuran-2-yl-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-dibenzothiophen-2-ylphenyl)-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;3-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;8-phenyl-22-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(6-pyridin-2-yl-3-pyridinyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(4-triphenylen-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is N#Cc1cccc(-c2ccc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccccc3)c3ccccc3-4)cc2)c1.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6c(c7ccccc75)-c5ccccc5N(c5ccccc5)c5ccccc5-6)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccccc3)c3ccccc3-4)nc3ccccc23)cc1.c1ccc(N2c3ccccc3-c3c(n(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccccc34)-c3ccccc32)cc1.c1ccc(N2c3ccccc3-c3c(n(-c4ccc(-c5ccccn5)nc4)c4ccccc34)-c3ccccc32)cc1.c1ccc(N2c3ccccc3-c3c(n(-c4ccc5oc6ccccc6c5c4)c4ccccc34)-c3ccccc32)cc1.c1ccc(N2c3ccccc3-c3c(n(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c4ccccc34)-c3ccccc32)cc1.c1ccc(N2c3ccccc3-c3c(n(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5n4)c4ccccc34)-c3ccccc32)cc1.

What is the InChIKey of 22-dibenzofuran-2-yl-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-dibenzothiophen-2-ylphenyl)-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;3-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;8-phenyl-22-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(6-pyridin-2-yl-3-pyridinyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(4-triphenylen-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The InChIKey is GPSYWKHNCDLQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4.C50H32N4.C50H32N2.C44H28N2S.C40H26N4.C39H25N3.C38H24N2O.C36H24N4/c1-4-16-39(17-5-1)47-36-48(56-54(55-47)41-18-6-2-7-19-41)40-30-28-37(29-31-40)38-32-34-43(35-33-38)58-50-26-14-11-23-45(50)52-44-22-10-13-25-49(44)57(42-20-8-3-9-21-42)51-27-15-12-24-46(51)53(52)58;1-2-17-36(18-3-1)53-44-26-11-7-21-40(44)47-41-22-8-12-27-45(41)54(49(47)42-23-9-13-28-46(42)53)50-51-43-25-10-6-20-39(43)48(52-50)35-31-29-34(30-32-35)38-24-14-16-33-15-4-5-19-37(33)38;1-2-14-35(15-3-1)51-46-23-11-8-20-42(46)49-43-21-9-12-24-47(43)52(50(49)44-22-10-13-25-48(44)51)36-29-26-33(27-30-36)34-28-31-41-39-18-5-4-16-37(39)38-17-6-7-19-40(38)45(41)32-34;1-2-14-31(15-3-1)45-38-21-8-4-18-34(38)43-35-19-5-9-22-39(35)46(44(43)36-20-6-10-23-40(36)45)32-16-12-13-29(27-32)30-25-26-42-37(28-30)33-17-7-11-24-41(33)47-42;1-3-15-27(16-4-1)38-29-19-7-11-23-33(29)41-40(42-38)44-35-25-13-9-21-31(35)37-30-20-8-12-24-34(30)43(28-17-5-2-6-18-28)36-26-14-10-22-32(36)39(37)44;40-26-27-11-10-12-29(25-27)28-21-23-31(24-22-28)42-36-19-8-5-16-33(36)38-32-15-4-7-18-35(32)41(30-13-2-1-3-14-30)37-20-9-6-17-34(37)39(38)42;1-2-12-25(13-3-1)39-32-18-8-4-15-28(32)37-29-16-5-9-19-33(29)40(38(37)30-17-6-10-20-34(30)39)26-22-23-36-31(24-26)27-14-7-11-21-35(27)41-36;1-2-12-25(13-3-1)39-32-18-7-4-14-27(32)35-28-15-5-8-19-33(28)40(36(35)29-16-6-9-20-34(29)39)26-21-22-31(38-24-26)30-17-10-11-23-37-30/h1-36H;1-32H;1-32H;1-28H;1-26H;1-25H;1-24H;1-24H.

What are the key properties of 22-dibenzofuran-2-yl-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-dibenzothiophen-2-ylphenyl)-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;3-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;8-phenyl-22-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(6-pyridin-2-yl-3-pyridinyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(4-triphenylen-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

22-dibenzofuran-2-yl-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-dibenzothiophen-2-ylphenyl)-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;3-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;8-phenyl-22-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(6-pyridin-2-yl-3-pyridinyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(4-triphenylen-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene has a molecular weight of 4842.92 g/mol, XLogP of 94.54, 27 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 22-dibenzofuran-2-yl-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(3-dibenzothiophen-2-ylphenyl)-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;3-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]benzonitrile;8-phenyl-22-(4-phenylquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(6-pyridin-2-yl-3-pyridinyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-phenyl-22-(4-triphenylen-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is sourced from PubChem (CID 158328769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).