2-[4-[16-[4-(1-benzofuran-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]-1-benzofuran;2-[16-(1-benzofuran-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]-1-benzofuran;6,16-bis(4-butylphenyl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-bis(9,9-dimethylfluoren-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-di(anthracen-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;1-methyl-2-[4-[16-[4-(1-methylbenzimidazol-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]benzimidazole;6-(4-methylphenyl)-16-[4-(trifluoromethyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane

C320H207F3N4O4S24Si — CID 165089079

About 2-[4-[16-[4-(1-benzofuran-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]-1-benzofuran;2-[16-(1-benzofuran-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]-1-benzofuran;6,16-bis(4-butylphenyl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-bis(9,9-dimethylfluoren-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-di(anthracen-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;1-methyl-2-[4-[16-[4-(1-methylbenzimidazol-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]benzimidazole;6-(4-methylphenyl)-16-[4-(trifluoromethyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane

2-[4-[16-[4-(1-benzofuran-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]-1-benzofuran;2-[16-(1-benzofuran-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]-1-benzofuran;6,16-bis(4-butylphenyl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-bis(9,9-dimethylfluoren-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-di(anthracen-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;1-methyl-2-[4-[16-[4-(1-methylbenzimidazol-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]benzimidazole;6-(4-methylphenyl)-16-[4-(trifluoromethyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane (PubChem CID 165089079) has the molecular formula C320H207F3N4O4S24Si and a molecular weight of 5026.89 g/mol. Its IUPAC name is 2-[4-[16-[4-(1-benzofuran-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]-1-benzofuran;2-[16-(1-benzofuran-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]-1-benzofuran;6,16-bis(4-butylphenyl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-bis(9,9-dimethylfluoren-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-di(anthracen-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;1-methyl-2-[4-[16-[4-(1-methylbenzimidazol-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]benzimidazole;6-(4-methylphenyl)-16-[4-(trifluoromethyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane.

Molecular Properties

• Compound Name: 2-[4-[16-[4-(1-benzofuran-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]-1-benzofuran;2-[16-(1-benzofuran-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]-1-benzofuran;6,16-bis(4-butylphenyl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-bis(9,9-dimethylfluoren-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-di(anthracen-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;1-methyl-2-[4-[16-[4-(1-methylbenzimidazol-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]benzimidazole;6-(4-methylphenyl)-16-[4-(trifluoromethyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane
• PubChem CID: 165089079
• Molecular Formula: C320H207F3N4O4S24Si
• Molecular Weight: 5026.89 g/mol
• Exact Mass: 5020.91
• IUPAC Name: 2-[4-[16-[4-(1-benzofuran-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]-1-benzofuran;2-[16-(1-benzofuran-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]-1-benzofuran;6,16-bis(4-butylphenyl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-bis(9,9-dimethylfluoren-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-di(anthracen-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;1-methyl-2-[4-[16-[4-(1-methylbenzimidazol-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]benzimidazole;6-(4-methylphenyl)-16-[4-(trifluoromethyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc4cc5c(cc4s3)sc3cc4sc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc4cc35)cc21.CCCCc1ccc(-c2cc3cc4c(cc3s2)sc2cc3sc(-c5ccc(CCCC)cc5)cc3cc24)cc1.Cc1ccc(-c2cc3cc4c(cc3s2)sc2cc3sc(-c5ccc(C(F)(F)F)cc5)cc3cc24)cc1.Cc1ccc(-c2ccc(-c3cc4cc5c(cc4s3)sc3cc4sc(-c6ccc(-c7ccc([Si](C)(C)C)cc7)cc6)cc4cc35)cc2)cc1.Cn1c(-c2ccc(-c3cc4cc5c(cc4s3)sc3cc4sc(-c6ccc(-c7nc8ccccc8n7C)cc6)cc4cc35)cc2)nc2ccccc21.c1ccc2cc3cc(-c4cc5cc6c(cc5s4)sc4cc5sc(-c7ccc8cc9ccccc9cc8c7)cc5cc46)ccc3cc2c1.c1ccc2oc(-c3cc4cc5c(cc4s3)sc3cc4sc(-c6cc7ccccc7o6)cc4cc35)cc2c1.c1ccc2oc(-c3ccc(-c4cc5cc6c(cc5s4)sc4cc5sc(-c7ccc(-c8cc9ccccc9o8)cc7)cc5cc46)cc3)cc2c1
• InChI: InChI=1S/C46H32S3.C44H28N4S3.C44H24O2S3.C44H34S3Si.C44H24S3.C36H32S3.C32H16O2S3.C30H17F3S3/c1-45(2)35-11-7-5-9-29(35)31-15-13-25(19-37(31)45)39-21-27-17-33-34-18-28-22-40(48-42(28)24-44(34)49-43(33)23-41(27)47-39)26-14-16-32-30-10-6-8-12-36(30)46(3,4)38(32)20-26;1-47-35-9-5-3-7-33(35)45-43(47)27-15-11-25(12-16-27)37-21-29-19-31-32-20-30-22-38(50-40(30)24-42(32)51-41(31)23-39(29)49-37)26-13-17-28(18-14-26)44-46-34-8-4-6-10-36(34)48(44)2;1-3-7-35-29(5-1)19-37(45-35)25-9-13-27(14-10-25)39-21-31-17-33-34-18-32-22-40(48-42(32)24-44(34)49-43(33)23-41(31)47-39)28-15-11-26(12-16-28)38-20-30-6-2-4-8-36(30)46-38;1-27-5-7-28(8-6-27)29-9-13-32(14-10-29)39-23-34-21-37-38-22-35-24-40(46-42(35)26-44(38)47-43(37)25-41(34)45-39)33-15-11-30(12-16-33)31-17-19-36(20-18-31)48(2,3)4;1-3-7-27-15-33-17-31(11-9-29(33)13-25(27)5-1)39-21-35-19-37-38-20-36-22-40(46-42(36)24-44(38)47-43(37)23-41(35)45-39)32-12-10-30-14-26-6-2-4-8-28(26)16-34(30)18-32;1-3-5-7-23-9-13-25(14-10-23)31-19-27-17-29-30-18-28-20-32(26-15-11-24(12-16-26)8-6-4-2)38-34(28)22-36(30)39-35(29)21-33(27)37-31;1-3-7-23-17(5-1)11-25(33-23)31-13-19-9-21-22-10-20-14-32(26-12-18-6-2-4-8-24(18)34-26)36-28(20)16-30(22)37-29(21)15-27(19)35-31;1-16-2-4-17(5-3-16)24-12-19-10-22-23-11-20-13-25(18-6-8-21(9-7-18)30(31,32)33)35-27(20)15-29(23)36-28(22)14-26(19)34-24/h5-24H,1-4H3;3-24H,1-2H3;1-24H;5-26H,1-4H3;1-24H;9-22H,3-8H2,1-2H3;1-16H;2-15H,1H3
• InChIKey: WJXKKSIKGOPZNN-UHFFFAOYSA-N
• XLogP: 105.39
• TPSA: 88.20 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 356
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5026.89
LogP ≤ 5	105.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-[4-[16-[4-(1-benzofuran-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]-1-benzofuran;2-[16-(1-benzofuran-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]-1-benzofuran;6,16-bis(4-butylphenyl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-bis(9,9-dimethylfluoren-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-di(anthracen-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;1-methyl-2-[4-[16-[4-(1-methylbenzimidazol-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]benzimidazole;6-(4-methylphenyl)-16-[4-(trifluoromethyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane?

The IUPAC name of 2-[4-[16-[4-(1-benzofuran-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]-1-benzofuran;2-[16-(1-benzofuran-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]-1-benzofuran;6,16-bis(4-butylphenyl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-bis(9,9-dimethylfluoren-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-di(anthracen-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;1-methyl-2-[4-[16-[4-(1-methylbenzimidazol-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]benzimidazole;6-(4-methylphenyl)-16-[4-(trifluoromethyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane (CID 165089079) is 2-[4-[16-[4-(1-benzofuran-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]-1-benzofuran;2-[16-(1-benzofuran-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]-1-benzofuran;6,16-bis(4-butylphenyl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-bis(9,9-dimethylfluoren-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-di(anthracen-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;1-methyl-2-[4-[16-[4-(1-methylbenzimidazol-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]benzimidazole;6-(4-methylphenyl)-16-[4-(trifluoromethyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane.

What is the SMILES notation for 2-[4-[16-[4-(1-benzofuran-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]-1-benzofuran;2-[16-(1-benzofuran-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]-1-benzofuran;6,16-bis(4-butylphenyl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-bis(9,9-dimethylfluoren-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-di(anthracen-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;1-methyl-2-[4-[16-[4-(1-methylbenzimidazol-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]benzimidazole;6-(4-methylphenyl)-16-[4-(trifluoromethyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane?

The canonical SMILES for 2-[4-[16-[4-(1-benzofuran-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]-1-benzofuran;2-[16-(1-benzofuran-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]-1-benzofuran;6,16-bis(4-butylphenyl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-bis(9,9-dimethylfluoren-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-di(anthracen-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;1-methyl-2-[4-[16-[4-(1-methylbenzimidazol-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]benzimidazole;6-(4-methylphenyl)-16-[4-(trifluoromethyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane is CC1(C)c2ccccc2-c2ccc(-c3cc4cc5c(cc4s3)sc3cc4sc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc4cc35)cc21.CCCCc1ccc(-c2cc3cc4c(cc3s2)sc2cc3sc(-c5ccc(CCCC)cc5)cc3cc24)cc1.Cc1ccc(-c2cc3cc4c(cc3s2)sc2cc3sc(-c5ccc(C(F)(F)F)cc5)cc3cc24)cc1.Cc1ccc(-c2ccc(-c3cc4cc5c(cc4s3)sc3cc4sc(-c6ccc(-c7ccc([Si](C)(C)C)cc7)cc6)cc4cc35)cc2)cc1.Cn1c(-c2ccc(-c3cc4cc5c(cc4s3)sc3cc4sc(-c6ccc(-c7nc8ccccc8n7C)cc6)cc4cc35)cc2)nc2ccccc21.c1ccc2cc3cc(-c4cc5cc6c(cc5s4)sc4cc5sc(-c7ccc8cc9ccccc9cc8c7)cc5cc46)ccc3cc2c1.c1ccc2oc(-c3cc4cc5c(cc4s3)sc3cc4sc(-c6cc7ccccc7o6)cc4cc35)cc2c1.c1ccc2oc(-c3ccc(-c4cc5cc6c(cc5s4)sc4cc5sc(-c7ccc(-c8cc9ccccc9o8)cc7)cc5cc46)cc3)cc2c1.

What is the InChIKey of 2-[4-[16-[4-(1-benzofuran-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]-1-benzofuran;2-[16-(1-benzofuran-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]-1-benzofuran;6,16-bis(4-butylphenyl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-bis(9,9-dimethylfluoren-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-di(anthracen-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;1-methyl-2-[4-[16-[4-(1-methylbenzimidazol-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]benzimidazole;6-(4-methylphenyl)-16-[4-(trifluoromethyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane?

The InChIKey is WJXKKSIKGOPZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32S3.C44H28N4S3.C44H24O2S3.C44H34S3Si.C44H24S3.C36H32S3.C32H16O2S3.C30H17F3S3/c1-45(2)35-11-7-5-9-29(35)31-15-13-25(19-37(31)45)39-21-27-17-33-34-18-28-22-40(48-42(28)24-44(34)49-43(33)23-41(27)47-39)26-14-16-32-30-10-6-8-12-36(30)46(3,4)38(32)20-26;1-47-35-9-5-3-7-33(35)45-43(47)27-15-11-25(12-16-27)37-21-29-19-31-32-20-30-22-38(50-40(30)24-42(32)51-41(31)23-39(29)49-37)26-13-17-28(18-14-26)44-46-34-8-4-6-10-36(34)48(44)2;1-3-7-35-29(5-1)19-37(45-35)25-9-13-27(14-10-25)39-21-31-17-33-34-18-32-22-40(48-42(32)24-44(34)49-43(33)23-41(31)47-39)28-15-11-26(12-16-28)38-20-30-6-2-4-8-36(30)46-38;1-27-5-7-28(8-6-27)29-9-13-32(14-10-29)39-23-34-21-37-38-22-35-24-40(46-42(35)26-44(38)47-43(37)25-41(34)45-39)33-15-11-30(12-16-33)31-17-19-36(20-18-31)48(2,3)4;1-3-7-27-15-33-17-31(11-9-29(33)13-25(27)5-1)39-21-35-19-37-38-20-36-22-40(46-42(36)24-44(38)47-43(37)23-41(35)45-39)32-12-10-30-14-26-6-2-4-8-28(26)16-34(30)18-32;1-3-5-7-23-9-13-25(14-10-23)31-19-27-17-29-30-18-28-20-32(26-15-11-24(12-16-26)8-6-4-2)38-34(28)22-36(30)39-35(29)21-33(27)37-31;1-3-7-23-17(5-1)11-25(33-23)31-13-19-9-21-22-10-20-14-32(26-12-18-6-2-4-8-24(18)34-26)36-28(20)16-30(22)37-29(21)15-27(19)35-31;1-16-2-4-17(5-3-16)24-12-19-10-22-23-11-20-13-25(18-6-8-21(9-7-18)30(31,32)33)35-27(20)15-29(23)36-28(22)14-26(19)34-24/h5-24H,1-4H3;3-24H,1-2H3;1-24H;5-26H,1-4H3;1-24H;9-22H,3-8H2,1-2H3;1-16H;2-15H,1H3.

What are the key properties of 2-[4-[16-[4-(1-benzofuran-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]-1-benzofuran;2-[16-(1-benzofuran-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]-1-benzofuran;6,16-bis(4-butylphenyl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-bis(9,9-dimethylfluoren-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-di(anthracen-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;1-methyl-2-[4-[16-[4-(1-methylbenzimidazol-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]benzimidazole;6-(4-methylphenyl)-16-[4-(trifluoromethyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane?

2-[4-[16-[4-(1-benzofuran-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]-1-benzofuran;2-[16-(1-benzofuran-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]-1-benzofuran;6,16-bis(4-butylphenyl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-bis(9,9-dimethylfluoren-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-di(anthracen-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;1-methyl-2-[4-[16-[4-(1-methylbenzimidazol-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]benzimidazole;6-(4-methylphenyl)-16-[4-(trifluoromethyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane has a molecular weight of 5026.89 g/mol, XLogP of 105.39, 29 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[16-[4-(1-benzofuran-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]-1-benzofuran;2-[16-(1-benzofuran-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]-1-benzofuran;6,16-bis(4-butylphenyl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-bis(9,9-dimethylfluoren-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;6,16-di(anthracen-2-yl)-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;1-methyl-2-[4-[16-[4-(1-methylbenzimidazol-2-yl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]benzimidazole;6-(4-methylphenyl)-16-[4-(trifluoromethyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene;trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane is sourced from PubChem (CID 165089079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).