3-(3-dibenzofuran-3-yl-[1]benzothiolo[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;7-dibenzothiophen-3-yl-3-(3-phenylbenzo[h]quinoxalin-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(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene;32-[4-(2-phenyl-[1]benzothiolo[2,3-b]pyrazin-3-yl)phenyl]-3-oxa-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.024,29]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22,24,26,28,30-pentadecaene;3-(12-phenylphenanthro[9,10-g]quinoxalin-11-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-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-(9-quinazolin-2-ylcarbazol-2-yl)quinoxalin-2-yl]-28-thia-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

C302H167N21O6S4 — CID 157059656

About 3-(3-dibenzofuran-3-yl-[1]benzothiolo[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;7-dibenzothiophen-3-yl-3-(3-phenylbenzo[h]quinoxalin-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(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene;32-[4-(2-phenyl-[1]benzothiolo[2,3-b]pyrazin-3-yl)phenyl]-3-oxa-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.024,29]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22,24,26,28,30-pentadecaene;3-(12-phenylphenanthro[9,10-g]quinoxalin-11-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-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-(9-quinazolin-2-ylcarbazol-2-yl)quinoxalin-2-yl]-28-thia-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-dibenzofuran-3-yl-[1]benzothiolo[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;7-dibenzothiophen-3-yl-3-(3-phenylbenzo[h]quinoxalin-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(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene;32-[4-(2-phenyl-[1]benzothiolo[2,3-b]pyrazin-3-yl)phenyl]-3-oxa-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.024,29]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22,24,26,28,30-pentadecaene;3-(12-phenylphenanthro[9,10-g]quinoxalin-11-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-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-(9-quinazolin-2-ylcarbazol-2-yl)quinoxalin-2-yl]-28-thia-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 (PubChem CID 157059656) has the molecular formula C302H167N21O6S4 and a molecular weight of 4314.07 g/mol. Its IUPAC name is 3-(3-dibenzofuran-3-yl-[1]benzothiolo[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;7-dibenzothiophen-3-yl-3-(3-phenylbenzo[h]quinoxalin-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(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene;32-[4-(2-phenyl-[1]benzothiolo[2,3-b]pyrazin-3-yl)phenyl]-3-oxa-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.024,29]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22,24,26,28,30-pentadecaene;3-(12-phenylphenanthro[9,10-g]quinoxalin-11-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-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-(9-quinazolin-2-ylcarbazol-2-yl)quinoxalin-2-yl]-28-thia-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.

Molecular Properties

• Compound Name: 3-(3-dibenzofuran-3-yl-[1]benzothiolo[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;7-dibenzothiophen-3-yl-3-(3-phenylbenzo[h]quinoxalin-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(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene;32-[4-(2-phenyl-[1]benzothiolo[2,3-b]pyrazin-3-yl)phenyl]-3-oxa-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.024,29]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22,24,26,28,30-pentadecaene;3-(12-phenylphenanthro[9,10-g]quinoxalin-11-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-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-(9-quinazolin-2-ylcarbazol-2-yl)quinoxalin-2-yl]-28-thia-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
• PubChem CID: 157059656
• Molecular Formula: C302H167N21O6S4
• Molecular Weight: 4314.07 g/mol
• Exact Mass: 4310.23
• IUPAC Name: 3-(3-dibenzofuran-3-yl-[1]benzothiolo[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;7-dibenzothiophen-3-yl-3-(3-phenylbenzo[h]quinoxalin-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(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene;32-[4-(2-phenyl-[1]benzothiolo[2,3-b]pyrazin-3-yl)phenyl]-3-oxa-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.024,29]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22,24,26,28,30-pentadecaene;3-(12-phenylphenanthro[9,10-g]quinoxalin-11-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-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-(9-quinazolin-2-ylcarbazol-2-yl)quinoxalin-2-yl]-28-thia-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
• SMILES: c1ccc(-c2nc3c(nc2-c2ccc(-n4c5cc6ccccc6cc5c5c6ccccc6c6c7ccc8ccccc8c7oc6c54)cc2)sc2ccccc23)cc1.c1ccc(-c2nc3cc4c5ccccc5c5ccccc5c4cc3nc2-n2c3ccccc3c3c4ccccc4c4c5ccc6ccccc6c5oc4c32)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-n2c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3c3c4ccccc4c4c5ccc6ccccc6c5oc4c32)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4ccccc4c4c5ccc6ccccc6c5oc4c32)cc1.c1ccc2c(c1)ccc1c2oc2c1c1ccccc1c1c3ccccc3n(-c3nc4c(nc3-c3ccc5c(c3)oc3ccccc35)sc3ccccc34)c21.c1ccc2nc(-n3c4ccccc4c4ccc(-c5nc6ccccc6nc5-n5c6ccccc6c6c7ccccc7c7c8ccc9ccccc9c8sc7c65)cc43)ncc2c1
• InChI: InChI=1S/C56H31N3OS.C54H30N6S.C52H29N3OS.C52H29N3O.C48H25N3O2S.C40H23N3O/c1-2-14-34(15-3-1)51-56(58-52-37-16-6-4-12-32(37)24-28-45(52)57-51)59-46-29-25-35(36-23-26-40-39-18-10-11-21-47(39)61-48(40)31-36)30-44(46)49-41-19-8-9-20-42(41)50-43-27-22-33-13-5-7-17-38(33)54(43)60-55(50)53(49)59;1-3-15-34-31(13-1)25-28-40-48-38-18-5-4-17-37(38)47-39-19-7-12-24-45(39)60(50(47)52(48)61-51(34)40)53-49(56-42-21-9-10-22-43(42)57-53)32-26-27-36-35-16-6-11-23-44(35)59(46(36)29-32)54-55-30-33-14-2-8-20-41(33)58-54;1-2-13-31(14-3-1)46-47(54-52-48(53-46)39-20-10-11-21-43(39)57-52)32-22-25-35(26-23-32)55-42-29-34-16-5-4-15-33(34)28-41(42)44-37-18-8-9-19-38(37)45-40-27-24-30-12-6-7-17-36(30)50(40)56-51(45)49(44)55;1-2-15-31(16-3-1)48-52(54-44-29-42-36-21-9-7-19-34(36)33-18-6-8-20-35(33)41(42)28-43(44)53-48)55-45-25-13-12-24-39(45)46-37-22-10-11-23-38(37)47-40-27-26-30-14-4-5-17-32(30)50(40)56-51(47)49(46)55;1-2-12-28-26(11-1)21-24-35-41-32-15-4-3-14-31(32)40-33-16-5-8-18-36(33)51(44(40)46(41)53-45(28)35)47-42(50-48-43(49-47)34-17-7-10-20-39(34)54-48)27-22-23-30-29-13-6-9-19-37(29)52-38(30)25-27;1-2-13-25(14-3-1)36-40(42-32-20-10-9-19-31(32)41-36)43-33-21-11-8-18-29(33)34-27-16-6-7-17-28(27)35-30-23-22-24-12-4-5-15-26(24)38(30)44-39(35)37(34)43/h1-31H;1-30H;1-29H;1-29H;1-25H;1-23H
• InChIKey: ABEISDDEFWWBHF-UHFFFAOYSA-N
• XLogP: 82.90
• TPSA: 293.81 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 333
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4314.07
LogP ≤ 5	82.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzofuran-3-yl-[1]benzothiolo[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;7-dibenzothiophen-3-yl-3-(3-phenylbenzo[h]quinoxalin-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(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene;32-[4-(2-phenyl-[1]benzothiolo[2,3-b]pyrazin-3-yl)phenyl]-3-oxa-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.024,29]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22,24,26,28,30-pentadecaene;3-(12-phenylphenanthro[9,10-g]quinoxalin-11-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-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-(9-quinazolin-2-ylcarbazol-2-yl)quinoxalin-2-yl]-28-thia-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?

The IUPAC name of 3-(3-dibenzofuran-3-yl-[1]benzothiolo[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;7-dibenzothiophen-3-yl-3-(3-phenylbenzo[h]quinoxalin-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(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene;32-[4-(2-phenyl-[1]benzothiolo[2,3-b]pyrazin-3-yl)phenyl]-3-oxa-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.024,29]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22,24,26,28,30-pentadecaene;3-(12-phenylphenanthro[9,10-g]quinoxalin-11-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-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-(9-quinazolin-2-ylcarbazol-2-yl)quinoxalin-2-yl]-28-thia-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 (CID 157059656) is 3-(3-dibenzofuran-3-yl-[1]benzothiolo[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;7-dibenzothiophen-3-yl-3-(3-phenylbenzo[h]quinoxalin-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(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene;32-[4-(2-phenyl-[1]benzothiolo[2,3-b]pyrazin-3-yl)phenyl]-3-oxa-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.024,29]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22,24,26,28,30-pentadecaene;3-(12-phenylphenanthro[9,10-g]quinoxalin-11-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-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-(9-quinazolin-2-ylcarbazol-2-yl)quinoxalin-2-yl]-28-thia-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.

What is the SMILES notation for 3-(3-dibenzofuran-3-yl-[1]benzothiolo[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;7-dibenzothiophen-3-yl-3-(3-phenylbenzo[h]quinoxalin-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(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene;32-[4-(2-phenyl-[1]benzothiolo[2,3-b]pyrazin-3-yl)phenyl]-3-oxa-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.024,29]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22,24,26,28,30-pentadecaene;3-(12-phenylphenanthro[9,10-g]quinoxalin-11-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-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-(9-quinazolin-2-ylcarbazol-2-yl)quinoxalin-2-yl]-28-thia-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?

The canonical SMILES for 3-(3-dibenzofuran-3-yl-[1]benzothiolo[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;7-dibenzothiophen-3-yl-3-(3-phenylbenzo[h]quinoxalin-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(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene;32-[4-(2-phenyl-[1]benzothiolo[2,3-b]pyrazin-3-yl)phenyl]-3-oxa-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.024,29]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22,24,26,28,30-pentadecaene;3-(12-phenylphenanthro[9,10-g]quinoxalin-11-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-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-(9-quinazolin-2-ylcarbazol-2-yl)quinoxalin-2-yl]-28-thia-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 is c1ccc(-c2nc3c(nc2-c2ccc(-n4c5cc6ccccc6cc5c5c6ccccc6c6c7ccc8ccccc8c7oc6c54)cc2)sc2ccccc23)cc1.c1ccc(-c2nc3cc4c5ccccc5c5ccccc5c4cc3nc2-n2c3ccccc3c3c4ccccc4c4c5ccc6ccccc6c5oc4c32)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-n2c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3c3c4ccccc4c4c5ccc6ccccc6c5oc4c32)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4ccccc4c4c5ccc6ccccc6c5oc4c32)cc1.c1ccc2c(c1)ccc1c2oc2c1c1ccccc1c1c3ccccc3n(-c3nc4c(nc3-c3ccc5c(c3)oc3ccccc35)sc3ccccc34)c21.c1ccc2nc(-n3c4ccccc4c4ccc(-c5nc6ccccc6nc5-n5c6ccccc6c6c7ccccc7c7c8ccc9ccccc9c8sc7c65)cc43)ncc2c1.

What is the InChIKey of 3-(3-dibenzofuran-3-yl-[1]benzothiolo[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;7-dibenzothiophen-3-yl-3-(3-phenylbenzo[h]quinoxalin-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(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene;32-[4-(2-phenyl-[1]benzothiolo[2,3-b]pyrazin-3-yl)phenyl]-3-oxa-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.024,29]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22,24,26,28,30-pentadecaene;3-(12-phenylphenanthro[9,10-g]quinoxalin-11-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-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-(9-quinazolin-2-ylcarbazol-2-yl)quinoxalin-2-yl]-28-thia-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?

The InChIKey is ABEISDDEFWWBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H31N3OS.C54H30N6S.C52H29N3OS.C52H29N3O.C48H25N3O2S.C40H23N3O/c1-2-14-34(15-3-1)51-56(58-52-37-16-6-4-12-32(37)24-28-45(52)57-51)59-46-29-25-35(36-23-26-40-39-18-10-11-21-47(39)61-48(40)31-36)30-44(46)49-41-19-8-9-20-42(41)50-43-27-22-33-13-5-7-17-38(33)54(43)60-55(50)53(49)59;1-3-15-34-31(13-1)25-28-40-48-38-18-5-4-17-37(38)47-39-19-7-12-24-45(39)60(50(47)52(48)61-51(34)40)53-49(56-42-21-9-10-22-43(42)57-53)32-26-27-36-35-16-6-11-23-44(35)59(46(36)29-32)54-55-30-33-14-2-8-20-41(33)58-54;1-2-13-31(14-3-1)46-47(54-52-48(53-46)39-20-10-11-21-43(39)57-52)32-22-25-35(26-23-32)55-42-29-34-16-5-4-15-33(34)28-41(42)44-37-18-8-9-19-38(37)45-40-27-24-30-12-6-7-17-36(30)50(40)56-51(45)49(44)55;1-2-15-31(16-3-1)48-52(54-44-29-42-36-21-9-7-19-34(36)33-18-6-8-20-35(33)41(42)28-43(44)53-48)55-45-25-13-12-24-39(45)46-37-22-10-11-23-38(37)47-40-27-26-30-14-4-5-17-32(30)50(40)56-51(47)49(46)55;1-2-12-28-26(11-1)21-24-35-41-32-15-4-3-14-31(32)40-33-16-5-8-18-36(33)51(44(40)46(41)53-45(28)35)47-42(50-48-43(49-47)34-17-7-10-20-39(34)54-48)27-22-23-30-29-13-6-9-19-37(29)52-38(30)25-27;1-2-13-25(14-3-1)36-40(42-32-20-10-9-19-31(32)41-36)43-33-21-11-8-18-29(33)34-27-16-6-7-17-28(27)35-30-23-22-24-12-4-5-15-26(24)38(30)44-39(35)37(34)43/h1-31H;1-30H;1-29H;1-29H;1-25H;1-23H.

What are the key properties of 3-(3-dibenzofuran-3-yl-[1]benzothiolo[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;7-dibenzothiophen-3-yl-3-(3-phenylbenzo[h]quinoxalin-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(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene;32-[4-(2-phenyl-[1]benzothiolo[2,3-b]pyrazin-3-yl)phenyl]-3-oxa-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.024,29]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22,24,26,28,30-pentadecaene;3-(12-phenylphenanthro[9,10-g]quinoxalin-11-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-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-(9-quinazolin-2-ylcarbazol-2-yl)quinoxalin-2-yl]-28-thia-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-dibenzofuran-3-yl-[1]benzothiolo[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;7-dibenzothiophen-3-yl-3-(3-phenylbenzo[h]quinoxalin-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(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene;32-[4-(2-phenyl-[1]benzothiolo[2,3-b]pyrazin-3-yl)phenyl]-3-oxa-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.024,29]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22,24,26,28,30-pentadecaene;3-(12-phenylphenanthro[9,10-g]quinoxalin-11-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-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-(9-quinazolin-2-ylcarbazol-2-yl)quinoxalin-2-yl]-28-thia-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 has a molecular weight of 4314.07 g/mol, XLogP of 82.90, 15 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-dibenzofuran-3-yl-[1]benzothiolo[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;7-dibenzothiophen-3-yl-3-(3-phenylbenzo[h]quinoxalin-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(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene;32-[4-(2-phenyl-[1]benzothiolo[2,3-b]pyrazin-3-yl)phenyl]-3-oxa-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.024,29]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22,24,26,28,30-pentadecaene;3-(12-phenylphenanthro[9,10-g]quinoxalin-11-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-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-(9-quinazolin-2-ylcarbazol-2-yl)quinoxalin-2-yl]-28-thia-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 is sourced from PubChem (CID 157059656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).