9,22-dinaphthalen-2-yl-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3,5,7,11,13,15,19(31),20,23,25,27,29-tetradecaene;5,22-diphenyl-9-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3(8),4,6,11,13,15,19(31),20,23,25,27,29-tetradecaene;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-naphthalen-2-yl-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(2-phenylphenanthro[9,10-d]pyrimidin-4-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(4-phenylquinazolin-2-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(13-phenyl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene

C329H191N23S7 — CID 158690179

About 9,22-dinaphthalen-2-yl-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3,5,7,11,13,15,19(31),20,23,25,27,29-tetradecaene;5,22-diphenyl-9-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3(8),4,6,11,13,15,19(31),20,23,25,27,29-tetradecaene;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-naphthalen-2-yl-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(2-phenylphenanthro[9,10-d]pyrimidin-4-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(4-phenylquinazolin-2-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(13-phenyl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene

9,22-dinaphthalen-2-yl-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3,5,7,11,13,15,19(31),20,23,25,27,29-tetradecaene;5,22-diphenyl-9-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3(8),4,6,11,13,15,19(31),20,23,25,27,29-tetradecaene;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-naphthalen-2-yl-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(2-phenylphenanthro[9,10-d]pyrimidin-4-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(4-phenylquinazolin-2-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(13-phenyl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene (PubChem CID 158690179) has the molecular formula C329H191N23S7 and a molecular weight of 4690.78 g/mol. Its IUPAC name is 9,22-dinaphthalen-2-yl-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3,5,7,11,13,15,19(31),20,23,25,27,29-tetradecaene;5,22-diphenyl-9-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3(8),4,6,11,13,15,19(31),20,23,25,27,29-tetradecaene;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-naphthalen-2-yl-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(2-phenylphenanthro[9,10-d]pyrimidin-4-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(4-phenylquinazolin-2-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(13-phenyl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene.

Molecular Properties

• Compound Name: 9,22-dinaphthalen-2-yl-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3,5,7,11,13,15,19(31),20,23,25,27,29-tetradecaene;5,22-diphenyl-9-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3(8),4,6,11,13,15,19(31),20,23,25,27,29-tetradecaene;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-naphthalen-2-yl-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(2-phenylphenanthro[9,10-d]pyrimidin-4-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(4-phenylquinazolin-2-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(13-phenyl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene
• PubChem CID: 158690179
• Molecular Formula: C329H191N23S7
• Molecular Weight: 4690.78 g/mol
• Exact Mass: 4686.37
• IUPAC Name: 9,22-dinaphthalen-2-yl-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3,5,7,11,13,15,19(31),20,23,25,27,29-tetradecaene;5,22-diphenyl-9-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3(8),4,6,11,13,15,19(31),20,23,25,27,29-tetradecaene;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-naphthalen-2-yl-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(2-phenylphenanthro[9,10-d]pyrimidin-4-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(4-phenylquinazolin-2-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(13-phenyl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5c6c7cc8c9ccccc9n(-c9ccccc9)c8cc7sc6c6ccccc6c54)nc4c3ccc3ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6sc7cc8c(cc7c6c6ccccc6c54)c4ccccc4n8-c4ccc5ccccc5c4)c3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5sc6cc7c(cc6c5c5ccccc5c43)c3ccccc3n7-c3ccccc3)c3c4ccccc4c4ccccc4c3n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5sc6cc7c(cc6c5c5ccccc5c43)c3ccccc3n7-c3ccccc3)nc3c2sc2ccc4ccccc4c23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5sc6cc7c(cc6c5c5ccccc5c43)c3ccccc3n7-c3ccccc3)nc3ccccc23)cc1.c1ccc2cc(-n3c4ccccc4c4cc5c(cc43)sc3c4ccccc4c4c(c6ccccc6n4-c4ccc6ccccc6c4)c53)ccc2c1
• InChI: InChI=1S/C64H38N4S.C59H35N5S.C56H32N4S.C54H30N4S2.C48H28N4S.C48H28N2S/c1-4-16-39(17-5-1)41-28-30-43(31-29-41)60-50-34-32-42-20-10-11-23-46(42)61(50)66-64(65-60)68-55-35-33-44(40-18-6-2-7-19-40)36-52(55)58-59-53-37-51-47-24-14-15-27-54(47)67(45-21-8-3-9-22-45)56(51)38-57(53)69-63(59)49-26-13-12-25-48(49)62(58)68;1-3-17-37(18-4-1)57-60-58(38-19-5-2-6-20-38)62-59(61-57)40-22-15-23-41(33-40)64-50-29-14-12-27-46(50)54-55(64)45-26-10-9-25-44(45)53-48-34-47-43-24-11-13-28-49(43)63(51(47)35-52(48)65-56(53)54)42-31-30-36-16-7-8-21-39(36)32-42;1-3-17-33(18-4-1)55-57-52-40-26-11-8-22-36(40)35-21-7-9-24-38(35)50(52)56(58-55)60-46-30-16-14-28-42(46)51-53(60)41-27-12-10-25-39(41)49-44-31-43-37-23-13-15-29-45(37)59(34-19-5-2-6-20-34)47(43)32-48(44)61-54(49)51;1-3-16-32(17-4-1)49-53-50(47-34-20-8-7-15-31(34)27-28-44(47)59-53)56-54(55-49)58-42-26-14-12-24-38(42)48-51(58)37-23-10-9-22-36(37)46-40-29-39-35-21-11-13-25-41(35)57(33-18-5-2-6-19-33)43(39)30-45(40)60-52(46)48;1-3-15-29(16-4-1)45-34-22-9-12-24-38(34)49-48(50-45)52-40-26-14-11-23-35(40)44-46(52)33-21-8-7-20-32(33)43-37-27-36-31-19-10-13-25-39(31)51(30-17-5-2-6-18-30)41(36)28-42(37)53-47(43)44;1-3-13-31-25-33(23-21-29(31)11-1)49-41-19-9-7-15-35(41)39-27-40-44(28-43(39)49)51-48-37-17-6-5-16-36(37)47-45(46(40)48)38-18-8-10-20-42(38)50(47)34-24-22-30-12-2-4-14-32(30)26-34/h1-38H;1-35H;1-32H;1-30H;1-28H;1-28H
• InChIKey: IGFZSNUNGZJUIZ-UHFFFAOYSA-N
• XLogP: 90.66
• TPSA: 200.95 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 359
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4690.78
LogP ≤ 5	90.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 9,22-dinaphthalen-2-yl-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3,5,7,11,13,15,19(31),20,23,25,27,29-tetradecaene;5,22-diphenyl-9-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3(8),4,6,11,13,15,19(31),20,23,25,27,29-tetradecaene;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-naphthalen-2-yl-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(2-phenylphenanthro[9,10-d]pyrimidin-4-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(4-phenylquinazolin-2-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(13-phenyl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene?

The IUPAC name of 9,22-dinaphthalen-2-yl-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3,5,7,11,13,15,19(31),20,23,25,27,29-tetradecaene;5,22-diphenyl-9-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3(8),4,6,11,13,15,19(31),20,23,25,27,29-tetradecaene;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-naphthalen-2-yl-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(2-phenylphenanthro[9,10-d]pyrimidin-4-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(4-phenylquinazolin-2-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(13-phenyl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene (CID 158690179) is 9,22-dinaphthalen-2-yl-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3,5,7,11,13,15,19(31),20,23,25,27,29-tetradecaene;5,22-diphenyl-9-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3(8),4,6,11,13,15,19(31),20,23,25,27,29-tetradecaene;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-naphthalen-2-yl-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(2-phenylphenanthro[9,10-d]pyrimidin-4-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(4-phenylquinazolin-2-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(13-phenyl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene.

What is the SMILES notation for 9,22-dinaphthalen-2-yl-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3,5,7,11,13,15,19(31),20,23,25,27,29-tetradecaene;5,22-diphenyl-9-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3(8),4,6,11,13,15,19(31),20,23,25,27,29-tetradecaene;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-naphthalen-2-yl-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(2-phenylphenanthro[9,10-d]pyrimidin-4-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(4-phenylquinazolin-2-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(13-phenyl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene?

The canonical SMILES for 9,22-dinaphthalen-2-yl-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3,5,7,11,13,15,19(31),20,23,25,27,29-tetradecaene;5,22-diphenyl-9-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3(8),4,6,11,13,15,19(31),20,23,25,27,29-tetradecaene;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-naphthalen-2-yl-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(2-phenylphenanthro[9,10-d]pyrimidin-4-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(4-phenylquinazolin-2-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(13-phenyl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene is c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5c6c7cc8c9ccccc9n(-c9ccccc9)c8cc7sc6c6ccccc6c54)nc4c3ccc3ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6sc7cc8c(cc7c6c6ccccc6c54)c4ccccc4n8-c4ccc5ccccc5c4)c3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5sc6cc7c(cc6c5c5ccccc5c43)c3ccccc3n7-c3ccccc3)c3c4ccccc4c4ccccc4c3n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5sc6cc7c(cc6c5c5ccccc5c43)c3ccccc3n7-c3ccccc3)nc3c2sc2ccc4ccccc4c23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5sc6cc7c(cc6c5c5ccccc5c43)c3ccccc3n7-c3ccccc3)nc3ccccc23)cc1.c1ccc2cc(-n3c4ccccc4c4cc5c(cc43)sc3c4ccccc4c4c(c6ccccc6n4-c4ccc6ccccc6c4)c53)ccc2c1.

What is the InChIKey of 9,22-dinaphthalen-2-yl-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3,5,7,11,13,15,19(31),20,23,25,27,29-tetradecaene;5,22-diphenyl-9-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3(8),4,6,11,13,15,19(31),20,23,25,27,29-tetradecaene;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-naphthalen-2-yl-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(2-phenylphenanthro[9,10-d]pyrimidin-4-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(4-phenylquinazolin-2-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(13-phenyl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene?

The InChIKey is IGFZSNUNGZJUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N4S.C59H35N5S.C56H32N4S.C54H30N4S2.C48H28N4S.C48H28N2S/c1-4-16-39(17-5-1)41-28-30-43(31-29-41)60-50-34-32-42-20-10-11-23-46(42)61(50)66-64(65-60)68-55-35-33-44(40-18-6-2-7-19-40)36-52(55)58-59-53-37-51-47-24-14-15-27-54(47)67(45-21-8-3-9-22-45)56(51)38-57(53)69-63(59)49-26-13-12-25-48(49)62(58)68;1-3-17-37(18-4-1)57-60-58(38-19-5-2-6-20-38)62-59(61-57)40-22-15-23-41(33-40)64-50-29-14-12-27-46(50)54-55(64)45-26-10-9-25-44(45)53-48-34-47-43-24-11-13-28-49(43)63(51(47)35-52(48)65-56(53)54)42-31-30-36-16-7-8-21-39(36)32-42;1-3-17-33(18-4-1)55-57-52-40-26-11-8-22-36(40)35-21-7-9-24-38(35)50(52)56(58-55)60-46-30-16-14-28-42(46)51-53(60)41-27-12-10-25-39(41)49-44-31-43-37-23-13-15-29-45(37)59(34-19-5-2-6-20-34)47(43)32-48(44)61-54(49)51;1-3-16-32(17-4-1)49-53-50(47-34-20-8-7-15-31(34)27-28-44(47)59-53)56-54(55-49)58-42-26-14-12-24-38(42)48-51(58)37-23-10-9-22-36(37)46-40-29-39-35-21-11-13-25-41(35)57(33-18-5-2-6-19-33)43(39)30-45(40)60-52(46)48;1-3-15-29(16-4-1)45-34-22-9-12-24-38(34)49-48(50-45)52-40-26-14-11-23-35(40)44-46(52)33-21-8-7-20-32(33)43-37-27-36-31-19-10-13-25-39(31)51(30-17-5-2-6-18-30)41(36)28-42(37)53-47(43)44;1-3-13-31-25-33(23-21-29(31)11-1)49-41-19-9-7-15-35(41)39-27-40-44(28-43(39)49)51-48-37-17-6-5-16-36(37)47-45(46(40)48)38-18-8-10-20-42(38)50(47)34-24-22-30-12-2-4-14-32(30)26-34/h1-38H;1-35H;1-32H;1-30H;1-28H;1-28H.

What are the key properties of 9,22-dinaphthalen-2-yl-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3,5,7,11,13,15,19(31),20,23,25,27,29-tetradecaene;5,22-diphenyl-9-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3(8),4,6,11,13,15,19(31),20,23,25,27,29-tetradecaene;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-naphthalen-2-yl-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(2-phenylphenanthro[9,10-d]pyrimidin-4-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(4-phenylquinazolin-2-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(13-phenyl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene?

9,22-dinaphthalen-2-yl-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3,5,7,11,13,15,19(31),20,23,25,27,29-tetradecaene;5,22-diphenyl-9-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3(8),4,6,11,13,15,19(31),20,23,25,27,29-tetradecaene;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-naphthalen-2-yl-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(2-phenylphenanthro[9,10-d]pyrimidin-4-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(4-phenylquinazolin-2-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(13-phenyl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene has a molecular weight of 4690.78 g/mol, XLogP of 90.66, 21 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 9,22-dinaphthalen-2-yl-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3,5,7,11,13,15,19(31),20,23,25,27,29-tetradecaene;5,22-diphenyl-9-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-18-thia-9,22-diazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.021,29.023,28]hentriaconta-1(17),2(10),3(8),4,6,11,13,15,19(31),20,23,25,27,29-tetradecaene;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-naphthalen-2-yl-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(2-phenylphenanthro[9,10-d]pyrimidin-4-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(4-phenylquinazolin-2-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene;27-phenyl-9-(13-phenyl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-31-thia-9,27-diazaoctacyclo[15.14.0.02,10.03,8.011,16.018,30.020,28.021,26]hentriaconta-1(17),2(10),3,5,7,11,13,15,18(30),19,21,23,25,28-tetradecaene is sourced from PubChem (CID 158690179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).