4-[2-(13-dibenzofuran-2-yl-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11(16),12,14,18(27),19,21,23,25-tridecaen-3-yl)-[1]benzofuro[2,3-b]pyrazin-3-yl]benzonitrile;3-(3-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazin-2-yl)-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[3-(2-phenyl-[1]benzofuro[2,3-b]pyrazin-3-yl)phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-(3-phenylquinoxalin-2-yl)-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24,26-tridecaene

C285H157N19O11S — CID 161235325

About 4-[2-(13-dibenzofuran-2-yl-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11(16),12,14,18(27),19,21,23,25-tridecaen-3-yl)-[1]benzofuro[2,3-b]pyrazin-3-yl]benzonitrile;3-(3-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazin-2-yl)-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[3-(2-phenyl-[1]benzofuro[2,3-b]pyrazin-3-yl)phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-(3-phenylquinoxalin-2-yl)-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24,26-tridecaene

4-[2-(13-dibenzofuran-2-yl-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11(16),12,14,18(27),19,21,23,25-tridecaen-3-yl)-[1]benzofuro[2,3-b]pyrazin-3-yl]benzonitrile;3-(3-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazin-2-yl)-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[3-(2-phenyl-[1]benzofuro[2,3-b]pyrazin-3-yl)phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-(3-phenylquinoxalin-2-yl)-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24,26-tridecaene (PubChem CID 161235325) has the molecular formula C285H157N19O11S and a molecular weight of 4060.61 g/mol. Its IUPAC name is 4-[2-(13-dibenzofuran-2-yl-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11(16),12,14,18(27),19,21,23,25-tridecaen-3-yl)-[1]benzofuro[2,3-b]pyrazin-3-yl]benzonitrile;3-(3-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazin-2-yl)-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[3-(2-phenyl-[1]benzofuro[2,3-b]pyrazin-3-yl)phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-(3-phenylquinoxalin-2-yl)-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24,26-tridecaene.

Molecular Properties

• Compound Name: 4-[2-(13-dibenzofuran-2-yl-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11(16),12,14,18(27),19,21,23,25-tridecaen-3-yl)-[1]benzofuro[2,3-b]pyrazin-3-yl]benzonitrile;3-(3-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazin-2-yl)-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[3-(2-phenyl-[1]benzofuro[2,3-b]pyrazin-3-yl)phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-(3-phenylquinoxalin-2-yl)-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24,26-tridecaene
• PubChem CID: 161235325
• Molecular Formula: C285H157N19O11S
• Molecular Weight: 4060.61 g/mol
• Exact Mass: 4057.23
• IUPAC Name: 4-[2-(13-dibenzofuran-2-yl-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11(16),12,14,18(27),19,21,23,25-tridecaen-3-yl)-[1]benzofuro[2,3-b]pyrazin-3-yl]benzonitrile;3-(3-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazin-2-yl)-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[3-(2-phenyl-[1]benzofuro[2,3-b]pyrazin-3-yl)phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-(3-phenylquinoxalin-2-yl)-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24,26-tridecaene
• SMILES: N#Cc1ccc(-c2nc3oc4ccccc4c3nc2-n2c3ccccc3c3c4cc(-c5ccc6oc7ccccc7c6c5)ccc4c4c5ccc6ccccc6c5oc4c32)cc1.[2H]c1c([2H])c([2H])c(-c2ccc(-c3nc4c(nc3-n3c5ccccc5c5c6ccccc6c6c7ccc8ccccc8c7oc6c53)oc3ccccc34)cc2)c([2H])c1[2H].c1ccc(-c2cccc(-c3nc4c(nc3-n3c5ccccc5c5c6ccccc6c6c7ccc8ccccc8c7oc6c53)oc3ccccc34)c2)cc1.c1ccc(-c2nc3c(nc2-c2cccc(-n4c5ccccc5c5c6ccccc6c6c7ccc8ccccc8c7oc6c54)c2)oc2ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4ccccc4c4c5cc6ccccc6cc5sc4c32)cc1.c1ccc2c(-c3nc4oc5ccccc5c4nc3-n3c4ccccc4c4c5ccccc5c5c6ccc7ccccc7c6oc5c43)cccc2c1
• InChI: InChI=1S/C55H28N4O3.3C48H27N3O2.C46H25N3O2.C40H23N3S/c56-29-30-17-19-32(20-18-30)49-54(57-50-39-13-5-8-16-45(39)61-55(50)58-49)59-43-14-6-3-12-38(43)47-42-28-33(34-23-26-46-41(27-34)36-11-4-7-15-44(36)60-46)22-24-37(42)48-40-25-21-31-9-1-2-10-35(31)52(40)62-53(48)51(47)59;1-2-14-29(15-3-1)42-43(50-48-44(49-42)36-22-9-11-24-39(36)52-48)30-16-12-17-31(27-30)51-38-23-10-8-21-35(38)40-33-19-6-7-20-34(33)41-37-26-25-28-13-4-5-18-32(28)46(37)53-47(41)45(40)51;1-2-13-28(14-3-1)30-16-12-17-31(27-30)42-47(50-48-43(49-42)36-22-9-11-24-39(36)52-48)51-38-23-10-8-21-35(38)40-33-19-6-7-20-34(33)41-37-26-25-29-15-4-5-18-32(29)45(37)53-46(41)44(40)51;1-2-12-28(13-3-1)29-22-24-31(25-23-29)42-47(50-48-43(49-42)36-19-9-11-21-39(36)52-48)51-38-20-10-8-18-35(38)40-33-16-6-7-17-34(33)41-37-27-26-30-14-4-5-15-32(30)45(37)53-46(41)44(40)51;1-3-15-28-26(12-1)14-11-21-32(28)40-45(47-41-34-20-8-10-23-37(34)50-46(41)48-40)49-36-22-9-7-19-33(36)38-30-17-5-6-18-31(30)39-35-25-24-27-13-2-4-16-29(27)43(35)51-44(39)42(38)49;1-2-12-24(13-3-1)37-40(42-32-20-10-9-19-31(32)41-37)43-33-21-11-8-18-29(33)35-27-16-6-7-17-28(27)36-30-22-25-14-4-5-15-26(25)23-34(30)44-39(36)38(35)43/h1-28H;3*1-27H;1-25H;1-23H/i;;;1D,2D,3D,12D,13D
• InChIKey: UZHDWPGZLLBCFT-SMXHPSDBSA-N
• XLogP: 77.39
• TPSA: 352.59 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 316
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4060.61
LogP ≤ 5	77.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-[2-(13-dibenzofuran-2-yl-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11(16),12,14,18(27),19,21,23,25-tridecaen-3-yl)-[1]benzofuro[2,3-b]pyrazin-3-yl]benzonitrile;3-(3-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazin-2-yl)-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[3-(2-phenyl-[1]benzofuro[2,3-b]pyrazin-3-yl)phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-(3-phenylquinoxalin-2-yl)-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24,26-tridecaene?

The IUPAC name of 4-[2-(13-dibenzofuran-2-yl-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11(16),12,14,18(27),19,21,23,25-tridecaen-3-yl)-[1]benzofuro[2,3-b]pyrazin-3-yl]benzonitrile;3-(3-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazin-2-yl)-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[3-(2-phenyl-[1]benzofuro[2,3-b]pyrazin-3-yl)phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-(3-phenylquinoxalin-2-yl)-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24,26-tridecaene (CID 161235325) is 4-[2-(13-dibenzofuran-2-yl-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11(16),12,14,18(27),19,21,23,25-tridecaen-3-yl)-[1]benzofuro[2,3-b]pyrazin-3-yl]benzonitrile;3-(3-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazin-2-yl)-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[3-(2-phenyl-[1]benzofuro[2,3-b]pyrazin-3-yl)phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-(3-phenylquinoxalin-2-yl)-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24,26-tridecaene.

What is the SMILES notation for 4-[2-(13-dibenzofuran-2-yl-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11(16),12,14,18(27),19,21,23,25-tridecaen-3-yl)-[1]benzofuro[2,3-b]pyrazin-3-yl]benzonitrile;3-(3-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazin-2-yl)-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[3-(2-phenyl-[1]benzofuro[2,3-b]pyrazin-3-yl)phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-(3-phenylquinoxalin-2-yl)-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24,26-tridecaene?

The canonical SMILES for 4-[2-(13-dibenzofuran-2-yl-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11(16),12,14,18(27),19,21,23,25-tridecaen-3-yl)-[1]benzofuro[2,3-b]pyrazin-3-yl]benzonitrile;3-(3-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazin-2-yl)-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[3-(2-phenyl-[1]benzofuro[2,3-b]pyrazin-3-yl)phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-(3-phenylquinoxalin-2-yl)-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24,26-tridecaene is N#Cc1ccc(-c2nc3oc4ccccc4c3nc2-n2c3ccccc3c3c4cc(-c5ccc6oc7ccccc7c6c5)ccc4c4c5ccc6ccccc6c5oc4c32)cc1.[2H]c1c([2H])c([2H])c(-c2ccc(-c3nc4c(nc3-n3c5ccccc5c5c6ccccc6c6c7ccc8ccccc8c7oc6c53)oc3ccccc34)cc2)c([2H])c1[2H].c1ccc(-c2cccc(-c3nc4c(nc3-n3c5ccccc5c5c6ccccc6c6c7ccc8ccccc8c7oc6c53)oc3ccccc34)c2)cc1.c1ccc(-c2nc3c(nc2-c2cccc(-n4c5ccccc5c5c6ccccc6c6c7ccc8ccccc8c7oc6c54)c2)oc2ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4ccccc4c4c5cc6ccccc6cc5sc4c32)cc1.c1ccc2c(-c3nc4oc5ccccc5c4nc3-n3c4ccccc4c4c5ccccc5c5c6ccc7ccccc7c6oc5c43)cccc2c1.

What is the InChIKey of 4-[2-(13-dibenzofuran-2-yl-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11(16),12,14,18(27),19,21,23,25-tridecaen-3-yl)-[1]benzofuro[2,3-b]pyrazin-3-yl]benzonitrile;3-(3-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazin-2-yl)-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[3-(2-phenyl-[1]benzofuro[2,3-b]pyrazin-3-yl)phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-(3-phenylquinoxalin-2-yl)-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24,26-tridecaene?

The InChIKey is UZHDWPGZLLBCFT-SMXHPSDBSA-N. The full InChI is InChI=1S/C55H28N4O3.3C48H27N3O2.C46H25N3O2.C40H23N3S/c56-29-30-17-19-32(20-18-30)49-54(57-50-39-13-5-8-16-45(39)61-55(50)58-49)59-43-14-6-3-12-38(43)47-42-28-33(34-23-26-46-41(27-34)36-11-4-7-15-44(36)60-46)22-24-37(42)48-40-25-21-31-9-1-2-10-35(31)52(40)62-53(48)51(47)59;1-2-14-29(15-3-1)42-43(50-48-44(49-42)36-22-9-11-24-39(36)52-48)30-16-12-17-31(27-30)51-38-23-10-8-21-35(38)40-33-19-6-7-20-34(33)41-37-26-25-28-13-4-5-18-32(28)46(37)53-47(41)45(40)51;1-2-13-28(14-3-1)30-16-12-17-31(27-30)42-47(50-48-43(49-42)36-22-9-11-24-39(36)52-48)51-38-23-10-8-21-35(38)40-33-19-6-7-20-34(33)41-37-26-25-29-15-4-5-18-32(29)45(37)53-46(41)44(40)51;1-2-12-28(13-3-1)29-22-24-31(25-23-29)42-47(50-48-43(49-42)36-19-9-11-21-39(36)52-48)51-38-20-10-8-18-35(38)40-33-16-6-7-17-34(33)41-37-27-26-30-14-4-5-15-32(30)45(37)53-46(41)44(40)51;1-3-15-28-26(12-1)14-11-21-32(28)40-45(47-41-34-20-8-10-23-37(34)50-46(41)48-40)49-36-22-9-7-19-33(36)38-30-17-5-6-18-31(30)39-35-25-24-27-13-2-4-16-29(27)43(35)51-44(39)42(38)49;1-2-12-24(13-3-1)37-40(42-32-20-10-9-19-31(32)41-37)43-33-21-11-8-18-29(33)35-27-16-6-7-17-28(27)36-30-22-25-14-4-5-15-26(25)23-34(30)44-39(36)38(35)43/h1-28H;3*1-27H;1-25H;1-23H/i;;;1D,2D,3D,12D,13D;;.

What are the key properties of 4-[2-(13-dibenzofuran-2-yl-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11(16),12,14,18(27),19,21,23,25-tridecaen-3-yl)-[1]benzofuro[2,3-b]pyrazin-3-yl]benzonitrile;3-(3-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazin-2-yl)-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[3-(2-phenyl-[1]benzofuro[2,3-b]pyrazin-3-yl)phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-(3-phenylquinoxalin-2-yl)-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24,26-tridecaene?

4-[2-(13-dibenzofuran-2-yl-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11(16),12,14,18(27),19,21,23,25-tridecaen-3-yl)-[1]benzofuro[2,3-b]pyrazin-3-yl]benzonitrile;3-(3-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazin-2-yl)-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[3-(2-phenyl-[1]benzofuro[2,3-b]pyrazin-3-yl)phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-(3-phenylquinoxalin-2-yl)-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24,26-tridecaene has a molecular weight of 4060.61 g/mol, XLogP of 77.39, 16 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(13-dibenzofuran-2-yl-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11(16),12,14,18(27),19,21,23,25-tridecaen-3-yl)-[1]benzofuro[2,3-b]pyrazin-3-yl]benzonitrile;3-(3-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazin-2-yl)-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[3-(2-phenyl-[1]benzofuro[2,3-b]pyrazin-3-yl)phenyl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-[2-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyrazin-3-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;3-(3-phenylquinoxalin-2-yl)-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24,26-tridecaene is sourced from PubChem (CID 161235325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).