3-(2-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazin-3-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;32-[4-[2-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-8-yl]phenyl]-3-thia-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene;3-(2-naphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-naphthalen-2-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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

C288H157FN18S13 — CID 158940240

About 3-(2-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazin-3-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;32-[4-[2-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-8-yl]phenyl]-3-thia-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene;3-(2-naphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-naphthalen-2-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazin-3-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;32-[4-[2-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-8-yl]phenyl]-3-thia-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene;3-(2-naphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-naphthalen-2-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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 158940240) has the molecular formula C288H157FN18S13 and a molecular weight of 4305.42 g/mol. Its IUPAC name is 3-(2-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazin-3-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;32-[4-[2-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-8-yl]phenyl]-3-thia-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene;3-(2-naphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-naphthalen-2-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazin-3-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;32-[4-[2-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-8-yl]phenyl]-3-thia-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene;3-(2-naphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-naphthalen-2-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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: 158940240
• Molecular Formula: C288H157FN18S13
• Molecular Weight: 4305.42 g/mol
• Exact Mass: 4300.92
• IUPAC Name: 3-(2-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazin-3-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;32-[4-[2-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-8-yl]phenyl]-3-thia-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene;3-(2-naphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-naphthalen-2-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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: Fc1ccc(-c2cnc3sc4ccc(-c5ccc(-n6c7c8ccccc8ccc7c7c8ccccc8c8c9ccc%10ccccc%10c9sc8c76)cc5)cc4c3n2)cc1.c1ccc(-c2ccc(-c3nc4c(nc3-n3c5ccccc5c5c6ccccc6c6c7ccc8ccccc8c7sc6c53)sc3ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3nc4c(nc3-n3c5ccccc5c5c6ccccc6c6c7ccc8ccccc8c7sc6c53)sc3ccccc34)c2)cc1.c1ccc2c(-c3nc4c(nc3-n3c5ccccc5c5c6ccccc6c6c7ccc8ccccc8c7sc6c53)sc3ccccc34)cccc2c1.c1ccc2c(c1)ccc1c2sc2c1c1ccccc1c1c3ccccc3n(-c3nc4sc5ccccc5c4nc3-c3cccc4c3sc3ccccc34)c21.c1ccc2cc(-c3nc4c(nc3-n3c5ccccc5c5c6ccccc6c6c7ccc8ccccc8c7sc6c53)sc3ccccc34)ccc2c1
• InChI: InChI=1S/C52H28FN3S2.C48H25N3S3.2C48H27N3S2.2C46H25N3S2/c53-34-20-13-32(14-21-34)43-28-54-52-47(55-43)42-27-33(19-26-44(42)57-52)29-15-22-35(23-16-29)56-48-36-9-3-1-7-30(36)17-24-40(48)45-38-11-5-6-12-39(38)46-41-25-18-31-8-2-4-10-37(31)50(41)58-51(46)49(45)56;1-2-13-27-26(12-1)24-25-34-40-30-16-4-3-15-29(30)39-32-17-5-8-21-36(32)51(43(39)46(40)54-44(27)34)47-41(49-42-33-18-7-10-23-38(33)53-48(42)50-47)35-20-11-19-31-28-14-6-9-22-37(28)52-45(31)35;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(48-46-41(47-40)34-20-8-10-23-37(34)50-46)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;1-2-13-28-25-29(22-21-26(28)11-1)40-45(48-46-41(47-40)34-18-8-10-20-37(34)50-46)49-36-19-9-7-17-33(36)38-31-15-5-6-16-32(31)39-35-24-23-27-12-3-4-14-30(27)43(35)51-44(39)42(38)49/h1-28H;1-25H;2*1-27H;2*1-25H
• InChIKey: JKDQBFNEUQLJLJ-UHFFFAOYSA-N
• XLogP: 84.67
• TPSA: 184.26 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 320
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4305.42
LogP ≤ 5	84.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-(2-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazin-3-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;32-[4-[2-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-8-yl]phenyl]-3-thia-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene;3-(2-naphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-naphthalen-2-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazin-3-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;32-[4-[2-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-8-yl]phenyl]-3-thia-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene;3-(2-naphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-naphthalen-2-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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 158940240) is 3-(2-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazin-3-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;32-[4-[2-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-8-yl]phenyl]-3-thia-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene;3-(2-naphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-naphthalen-2-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazin-3-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;32-[4-[2-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-8-yl]phenyl]-3-thia-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene;3-(2-naphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-naphthalen-2-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazin-3-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;32-[4-[2-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-8-yl]phenyl]-3-thia-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene;3-(2-naphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-naphthalen-2-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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 Fc1ccc(-c2cnc3sc4ccc(-c5ccc(-n6c7c8ccccc8ccc7c7c8ccccc8c8c9ccc%10ccccc%10c9sc8c76)cc5)cc4c3n2)cc1.c1ccc(-c2ccc(-c3nc4c(nc3-n3c5ccccc5c5c6ccccc6c6c7ccc8ccccc8c7sc6c53)sc3ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3nc4c(nc3-n3c5ccccc5c5c6ccccc6c6c7ccc8ccccc8c7sc6c53)sc3ccccc34)c2)cc1.c1ccc2c(-c3nc4c(nc3-n3c5ccccc5c5c6ccccc6c6c7ccc8ccccc8c7sc6c53)sc3ccccc34)cccc2c1.c1ccc2c(c1)ccc1c2sc2c1c1ccccc1c1c3ccccc3n(-c3nc4sc5ccccc5c4nc3-c3cccc4c3sc3ccccc34)c21.c1ccc2cc(-c3nc4c(nc3-n3c5ccccc5c5c6ccccc6c6c7ccc8ccccc8c7sc6c53)sc3ccccc34)ccc2c1.

What is the InChIKey of 3-(2-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazin-3-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;32-[4-[2-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-8-yl]phenyl]-3-thia-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene;3-(2-naphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-naphthalen-2-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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 JKDQBFNEUQLJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28FN3S2.C48H25N3S3.2C48H27N3S2.2C46H25N3S2/c53-34-20-13-32(14-21-34)43-28-54-52-47(55-43)42-27-33(19-26-44(42)57-52)29-15-22-35(23-16-29)56-48-36-9-3-1-7-30(36)17-24-40(48)45-38-11-5-6-12-39(38)46-41-25-18-31-8-2-4-10-37(31)50(41)58-51(46)49(45)56;1-2-13-27-26(12-1)24-25-34-40-30-16-4-3-15-29(30)39-32-17-5-8-21-36(32)51(43(39)46(40)54-44(27)34)47-41(49-42-33-18-7-10-23-38(33)53-48(42)50-47)35-20-11-19-31-28-14-6-9-22-37(28)52-45(31)35;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(48-46-41(47-40)34-20-8-10-23-37(34)50-46)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;1-2-13-28-25-29(22-21-26(28)11-1)40-45(48-46-41(47-40)34-18-8-10-20-37(34)50-46)49-36-19-9-7-17-33(36)38-31-15-5-6-16-32(31)39-35-24-23-27-12-3-4-14-30(27)43(35)51-44(39)42(38)49/h1-28H;1-25H;2*1-27H;2*1-25H.

What are the key properties of 3-(2-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazin-3-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;32-[4-[2-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-8-yl]phenyl]-3-thia-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene;3-(2-naphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-naphthalen-2-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazin-3-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;32-[4-[2-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-8-yl]phenyl]-3-thia-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene;3-(2-naphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-naphthalen-2-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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 4305.42 g/mol, XLogP of 84.67, 15 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazin-3-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;32-[4-[2-(4-fluorophenyl)-[1]benzothiolo[2,3-b]pyrazin-8-yl]phenyl]-3-thia-32-azaoctacyclo[19.11.0.02,14.04,13.05,10.015,20.022,31.025,30]dotriaconta-1(21),2(14),4(13),5,7,9,11,15,17,19,22(31),23,25,27,29-pentadecaene;3-(2-naphthalen-1-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-(2-naphthalen-2-yl-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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-[2-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-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 158940240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).