22-dibenzothiophen-3-yl-11-phenyl-18-quinolin-6-yl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19(24),20,22,26-dodecaene;18-naphthalen-2-yl-11-[3-[4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-naphthalen-2-yl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-1-yl-18-(3-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;2-naphthalen-1-yl-4-[18-(4-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaen-11-yl]-[1]benzofuro[3,2-d]pyrimidine;18-naphthalen-2-yl-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

C305H177N19OS9 — CID 161173117

About 22-dibenzothiophen-3-yl-11-phenyl-18-quinolin-6-yl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19(24),20,22,26-dodecaene;18-naphthalen-2-yl-11-[3-[4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-naphthalen-2-yl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-1-yl-18-(3-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;2-naphthalen-1-yl-4-[18-(4-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaen-11-yl]-[1]benzofuro[3,2-d]pyrimidine;18-naphthalen-2-yl-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

22-dibenzothiophen-3-yl-11-phenyl-18-quinolin-6-yl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19(24),20,22,26-dodecaene;18-naphthalen-2-yl-11-[3-[4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-naphthalen-2-yl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-1-yl-18-(3-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;2-naphthalen-1-yl-4-[18-(4-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaen-11-yl]-[1]benzofuro[3,2-d]pyrimidine;18-naphthalen-2-yl-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene (PubChem CID 161173117) has the molecular formula C305H177N19OS9 and a molecular weight of 4412.51 g/mol. Its IUPAC name is 22-dibenzothiophen-3-yl-11-phenyl-18-quinolin-6-yl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19(24),20,22,26-dodecaene;18-naphthalen-2-yl-11-[3-[4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-naphthalen-2-yl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-1-yl-18-(3-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;2-naphthalen-1-yl-4-[18-(4-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaen-11-yl]-[1]benzofuro[3,2-d]pyrimidine;18-naphthalen-2-yl-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene.

Molecular Properties

• Compound Name: 22-dibenzothiophen-3-yl-11-phenyl-18-quinolin-6-yl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19(24),20,22,26-dodecaene;18-naphthalen-2-yl-11-[3-[4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-naphthalen-2-yl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-1-yl-18-(3-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;2-naphthalen-1-yl-4-[18-(4-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaen-11-yl]-[1]benzofuro[3,2-d]pyrimidine;18-naphthalen-2-yl-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
• PubChem CID: 161173117
• Molecular Formula: C305H177N19OS9
• Molecular Weight: 4412.51 g/mol
• Exact Mass: 4408.19
• IUPAC Name: 22-dibenzothiophen-3-yl-11-phenyl-18-quinolin-6-yl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19(24),20,22,26-dodecaene;18-naphthalen-2-yl-11-[3-[4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-naphthalen-2-yl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-1-yl-18-(3-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;2-naphthalen-1-yl-4-[18-(4-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaen-11-yl]-[1]benzofuro[3,2-d]pyrimidine;18-naphthalen-2-yl-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6cc7c8ccccc8n(-c8nc(-c9cccc%10ccccc9%10)nc9c8oc8ccccc89)c7cc6sc5c43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6cc7c8ccccc8n(-c8cccc9ccccc89)c7cc6sc5c43)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)sc5c7ccc6c7ccccc7n(-c7ccc8ccccc8c7)c65)c4)cc3)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3c5ccc4c5ccccc5n(-c5ccc6ccccc6c5)c43)nc3c2sc2ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)sc2c4ccc3c4cc(-c5ccc6c(c5)sc5ccccc56)ccc4n(-c4ccc5ncccc5c4)c32)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)sc2c4ccc3c4ccccc4n(-c4ccc5ccccc5c4)c32)cc1
• InChI: InChI=1S/C62H36N4S2.C56H32N4OS.C51H29N3S2.C50H28N4S2.C46H28N2S.C40H24N2S/c1-2-14-39(15-3-1)57-61-58(49-21-8-11-24-55(49)67-61)64-62(63-57)40-27-25-38(26-28-40)42-17-12-18-43(33-42)65-52-22-9-7-20-46(52)50-35-51-48-32-31-47-45-19-6-10-23-53(45)66(59(47)60(48)68-56(51)36-54(50)65)44-30-29-37-13-4-5-16-41(37)34-44;1-2-13-33(14-3-1)34-25-27-36(28-26-34)59-46-22-9-6-18-38(46)40-29-30-41-45-31-44-39-19-7-10-23-47(39)60(48(44)32-50(45)62-54(41)52(40)59)56-53-51(43-20-8-11-24-49(43)61-53)57-55(58-56)42-21-12-16-35-15-4-5-17-37(35)42;1-2-10-33(11-3-1)53-44-14-6-4-12-35(44)41-28-42-39-21-20-38-40-26-30(31-16-19-37-36-13-5-7-15-47(36)55-48(37)27-31)17-23-45(40)54(50(38)51(39)56-49(42)29-46(41)53)34-18-22-43-32(25-34)9-8-24-52-43;1-2-13-30(14-3-1)45-49-46(37-18-8-11-21-43(37)55-49)52-50(51-45)54-41-20-10-7-17-34(41)38-27-39-36-25-24-35-33-16-6-9-19-40(33)53(47(35)48(36)56-44(39)28-42(38)54)32-23-22-29-12-4-5-15-31(29)26-32;1-2-12-29(13-3-1)31-16-10-17-32(26-31)47-41-21-8-6-19-34(41)36-24-25-37-39-27-38-35-20-7-9-22-42(35)48(43(38)28-44(39)49-46(37)45(36)47)40-23-11-15-30-14-4-5-18-33(30)40;1-2-12-27(13-3-1)41-35-16-8-7-15-30(35)33-23-34-32-21-20-31-29-14-6-9-17-36(29)42(39(31)40(32)43-38(34)24-37(33)41)28-19-18-25-10-4-5-11-26(25)22-28/h1-36H;1-32H;1-29H;1-28H;1-28H;1-24H
• InChIKey: URLHTIYYQBWOBB-UHFFFAOYSA-N
• XLogP: 86.52
• TPSA: 162.53 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 334
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4412.51
LogP ≤ 5	86.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 22-dibenzothiophen-3-yl-11-phenyl-18-quinolin-6-yl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19(24),20,22,26-dodecaene;18-naphthalen-2-yl-11-[3-[4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-naphthalen-2-yl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-1-yl-18-(3-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;2-naphthalen-1-yl-4-[18-(4-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaen-11-yl]-[1]benzofuro[3,2-d]pyrimidine;18-naphthalen-2-yl-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?

The IUPAC name of 22-dibenzothiophen-3-yl-11-phenyl-18-quinolin-6-yl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19(24),20,22,26-dodecaene;18-naphthalen-2-yl-11-[3-[4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-naphthalen-2-yl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-1-yl-18-(3-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;2-naphthalen-1-yl-4-[18-(4-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaen-11-yl]-[1]benzofuro[3,2-d]pyrimidine;18-naphthalen-2-yl-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene (CID 161173117) is 22-dibenzothiophen-3-yl-11-phenyl-18-quinolin-6-yl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19(24),20,22,26-dodecaene;18-naphthalen-2-yl-11-[3-[4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-naphthalen-2-yl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-1-yl-18-(3-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;2-naphthalen-1-yl-4-[18-(4-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaen-11-yl]-[1]benzofuro[3,2-d]pyrimidine;18-naphthalen-2-yl-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene.

What is the SMILES notation for 22-dibenzothiophen-3-yl-11-phenyl-18-quinolin-6-yl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19(24),20,22,26-dodecaene;18-naphthalen-2-yl-11-[3-[4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-naphthalen-2-yl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-1-yl-18-(3-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;2-naphthalen-1-yl-4-[18-(4-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaen-11-yl]-[1]benzofuro[3,2-d]pyrimidine;18-naphthalen-2-yl-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?

The canonical SMILES for 22-dibenzothiophen-3-yl-11-phenyl-18-quinolin-6-yl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19(24),20,22,26-dodecaene;18-naphthalen-2-yl-11-[3-[4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-naphthalen-2-yl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-1-yl-18-(3-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;2-naphthalen-1-yl-4-[18-(4-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaen-11-yl]-[1]benzofuro[3,2-d]pyrimidine;18-naphthalen-2-yl-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6cc7c8ccccc8n(-c8nc(-c9cccc%10ccccc9%10)nc9c8oc8ccccc89)c7cc6sc5c43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6cc7c8ccccc8n(-c8cccc9ccccc89)c7cc6sc5c43)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)sc5c7ccc6c7ccccc7n(-c7ccc8ccccc8c7)c65)c4)cc3)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3c5ccc4c5ccccc5n(-c5ccc6ccccc6c5)c43)nc3c2sc2ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)sc2c4ccc3c4cc(-c5ccc6c(c5)sc5ccccc56)ccc4n(-c4ccc5ncccc5c4)c32)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)sc2c4ccc3c4ccccc4n(-c4ccc5ccccc5c4)c32)cc1.

What is the InChIKey of 22-dibenzothiophen-3-yl-11-phenyl-18-quinolin-6-yl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19(24),20,22,26-dodecaene;18-naphthalen-2-yl-11-[3-[4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-naphthalen-2-yl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-1-yl-18-(3-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;2-naphthalen-1-yl-4-[18-(4-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaen-11-yl]-[1]benzofuro[3,2-d]pyrimidine;18-naphthalen-2-yl-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?

The InChIKey is URLHTIYYQBWOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N4S2.C56H32N4OS.C51H29N3S2.C50H28N4S2.C46H28N2S.C40H24N2S/c1-2-14-39(15-3-1)57-61-58(49-21-8-11-24-55(49)67-61)64-62(63-57)40-27-25-38(26-28-40)42-17-12-18-43(33-42)65-52-22-9-7-20-46(52)50-35-51-48-32-31-47-45-19-6-10-23-53(45)66(59(47)60(48)68-56(51)36-54(50)65)44-30-29-37-13-4-5-16-41(37)34-44;1-2-13-33(14-3-1)34-25-27-36(28-26-34)59-46-22-9-6-18-38(46)40-29-30-41-45-31-44-39-19-7-10-23-47(39)60(48(44)32-50(45)62-54(41)52(40)59)56-53-51(43-20-8-11-24-49(43)61-53)57-55(58-56)42-21-12-16-35-15-4-5-17-37(35)42;1-2-10-33(11-3-1)53-44-14-6-4-12-35(44)41-28-42-39-21-20-38-40-26-30(31-16-19-37-36-13-5-7-15-47(36)55-48(37)27-31)17-23-45(40)54(50(38)51(39)56-49(42)29-46(41)53)34-18-22-43-32(25-34)9-8-24-52-43;1-2-13-30(14-3-1)45-49-46(37-18-8-11-21-43(37)55-49)52-50(51-45)54-41-20-10-7-17-34(41)38-27-39-36-25-24-35-33-16-6-9-19-40(33)53(47(35)48(36)56-44(39)28-42(38)54)32-23-22-29-12-4-5-15-31(29)26-32;1-2-12-29(13-3-1)31-16-10-17-32(26-31)47-41-21-8-6-19-34(41)36-24-25-37-39-27-38-35-20-7-9-22-42(35)48(43(38)28-44(39)49-46(37)45(36)47)40-23-11-15-30-14-4-5-18-33(30)40;1-2-12-27(13-3-1)41-35-16-8-7-15-30(35)33-23-34-32-21-20-31-29-14-6-9-17-36(29)42(39(31)40(32)43-38(34)24-37(33)41)28-19-18-25-10-4-5-11-26(25)22-28/h1-36H;1-32H;1-29H;1-28H;1-28H;1-24H.

What are the key properties of 22-dibenzothiophen-3-yl-11-phenyl-18-quinolin-6-yl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19(24),20,22,26-dodecaene;18-naphthalen-2-yl-11-[3-[4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-naphthalen-2-yl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-1-yl-18-(3-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;2-naphthalen-1-yl-4-[18-(4-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaen-11-yl]-[1]benzofuro[3,2-d]pyrimidine;18-naphthalen-2-yl-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?

22-dibenzothiophen-3-yl-11-phenyl-18-quinolin-6-yl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19(24),20,22,26-dodecaene;18-naphthalen-2-yl-11-[3-[4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-naphthalen-2-yl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-1-yl-18-(3-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;2-naphthalen-1-yl-4-[18-(4-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaen-11-yl]-[1]benzofuro[3,2-d]pyrimidine;18-naphthalen-2-yl-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene has a molecular weight of 4412.51 g/mol, XLogP of 86.52, 20 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 22-dibenzothiophen-3-yl-11-phenyl-18-quinolin-6-yl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19(24),20,22,26-dodecaene;18-naphthalen-2-yl-11-[3-[4-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;18-naphthalen-2-yl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-1-yl-18-(3-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;2-naphthalen-1-yl-4-[18-(4-phenylphenyl)-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaen-11-yl]-[1]benzofuro[3,2-d]pyrimidine;18-naphthalen-2-yl-11-phenyl-15-thia-11,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 161173117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).