1-(19-acetyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-yl)ethanone;7,19-bis(2-methoxyethoxy)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene;2-[2-(1,5-dimethylimidazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,5-dimethylimidazole;2-dodecyl-5-[17-(5-dodecylfuran-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]furan;19-isocyano-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene-7-carbonitrile;5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-oxazole;5-methyl-2-[2-(5-methyl-1,3-thiazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-thiazole;7-propyl-19-(3,3,3-trifluoropropyl)-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene

C224H181F3N10O10S18 — CID 159771348

About 1-(19-acetyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-yl)ethanone;7,19-bis(2-methoxyethoxy)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene;2-[2-(1,5-dimethylimidazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,5-dimethylimidazole;2-dodecyl-5-[17-(5-dodecylfuran-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]furan;19-isocyano-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene-7-carbonitrile;5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-oxazole;5-methyl-2-[2-(5-methyl-1,3-thiazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-thiazole;7-propyl-19-(3,3,3-trifluoropropyl)-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene

1-(19-acetyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-yl)ethanone;7,19-bis(2-methoxyethoxy)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene;2-[2-(1,5-dimethylimidazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,5-dimethylimidazole;2-dodecyl-5-[17-(5-dodecylfuran-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]furan;19-isocyano-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene-7-carbonitrile;5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-oxazole;5-methyl-2-[2-(5-methyl-1,3-thiazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-thiazole;7-propyl-19-(3,3,3-trifluoropropyl)-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene (PubChem CID 159771348) has the molecular formula C224H181F3N10O10S18 and a molecular weight of 3807.17 g/mol. Its IUPAC name is 1-(19-acetyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-yl)ethanone;7,19-bis(2-methoxyethoxy)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene;2-[2-(1,5-dimethylimidazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,5-dimethylimidazole;2-dodecyl-5-[17-(5-dodecylfuran-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]furan;19-isocyano-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene-7-carbonitrile;5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-oxazole;5-methyl-2-[2-(5-methyl-1,3-thiazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-thiazole;7-propyl-19-(3,3,3-trifluoropropyl)-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene.

Molecular Properties

• Compound Name: 1-(19-acetyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-yl)ethanone;7,19-bis(2-methoxyethoxy)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene;2-[2-(1,5-dimethylimidazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,5-dimethylimidazole;2-dodecyl-5-[17-(5-dodecylfuran-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]furan;19-isocyano-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene-7-carbonitrile;5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-oxazole;5-methyl-2-[2-(5-methyl-1,3-thiazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-thiazole;7-propyl-19-(3,3,3-trifluoropropyl)-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene
• PubChem CID: 159771348
• Molecular Formula: C224H181F3N10O10S18
• Molecular Weight: 3807.17 g/mol
• Exact Mass: 3802.89
• IUPAC Name: 1-(19-acetyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-yl)ethanone;7,19-bis(2-methoxyethoxy)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene;2-[2-(1,5-dimethylimidazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,5-dimethylimidazole;2-dodecyl-5-[17-(5-dodecylfuran-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]furan;19-isocyano-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene-7-carbonitrile;5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-oxazole;5-methyl-2-[2-(5-methyl-1,3-thiazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-thiazole;7-propyl-19-(3,3,3-trifluoropropyl)-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene
• SMILES: CC(=O)c1ccc2cc3c(cc2c1)sc1c2cc4ccc(C(C)=O)cc4cc2sc31.CCCCCCCCCCCCc1ccc(-c2ccc3c(c2)sc2cc4c(cc23)sc2cc(-c3ccc(CCCCCCCCCCCC)o3)ccc24)o1.CCCc1ccc2c(ccc3c2sc2c4ccc5cc(CCC(F)(F)F)ccc5c4sc32)c1.COCCOc1ccc2cc3c(cc2c1)sc1c2cc4ccc(OCCOC)cc4cc2sc31.Cc1cnc(-c2ccc3c(c2)sc2c4ccc(-c5ncc(C)n5C)cc4sc32)n1C.Cc1cnc(-c2ccc3c(c2)sc2c4ccc(-c5ncc(C)o5)cc4sc32)o1.Cc1cnc(-c2ccc3c(c2)sc2c4ccc(-c5ncc(C)s5)cc4sc32)s1.[C-]#[N+]c1ccc2cc3c(cc2c1)sc1c2cc4ccc(C#N)cc4cc2sc31
• InChI: InChI=1S/C50H62O2S2.C28H21F3S2.C28H24O4S2.C26H16O2S2.C24H20N4S2.C24H10N2S2.C22H14N2O2S2.C22H14N2S4/c1-3-5-7-9-11-13-15-17-19-21-23-39-27-31-45(51-39)37-25-29-41-43-35-50-44(36-49(43)53-47(41)33-37)42-30-26-38(34-48(42)54-50)46-32-28-40(52-46)24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-16-4-8-20-18(14-16)6-10-22-24(20)32-27-23-11-7-19-15-17(12-13-28(29,30)31)5-9-21(19)25(23)33-26(22)27;1-29-7-9-31-21-5-3-17-13-23-25(15-19(17)11-21)33-28-24-14-18-4-6-22(32-10-8-30-2)12-20(18)16-26(24)34-27(23)28;1-13(27)15-3-5-17-9-21-23(11-19(17)7-15)29-26-22-10-18-6-4-16(14(2)28)8-20(18)12-24(22)30-25(21)26;1-13-11-25-23(27(13)3)15-5-7-17-19(9-15)29-22-18-8-6-16(10-20(18)30-21(17)22)24-26-12-14(2)28(24)4;1-26-18-5-4-15-9-20-22(11-17(15)7-18)28-23-19-8-14-3-2-13(12-25)6-16(14)10-21(19)27-24(20)23;2*1-11-9-23-21(25-11)13-3-5-15-17(7-13)27-20-16-6-4-14(8-18(16)28-19(15)20)22-24-10-12(2)26-22/h25-36H,3-24H2,1-2H3;4-11,14-15H,2-3,12-13H2,1H3;3-6,11-16H,7-10H2,1-2H3;3-12H,1-2H3;5-12H,1-4H3;2-11H;2*3-10H,1-2H3
• InChIKey: NGDOUEUHIJGOOR-UHFFFAOYSA-N
• XLogP: 73.51
• TPSA: 238.97 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 44
• Heavy Atoms: 265
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3807.17
LogP ≤ 5	73.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(19-acetyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-yl)ethanone;7,19-bis(2-methoxyethoxy)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene;2-[2-(1,5-dimethylimidazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,5-dimethylimidazole;2-dodecyl-5-[17-(5-dodecylfuran-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]furan;19-isocyano-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene-7-carbonitrile;5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-oxazole;5-methyl-2-[2-(5-methyl-1,3-thiazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-thiazole;7-propyl-19-(3,3,3-trifluoropropyl)-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene?

The IUPAC name of 1-(19-acetyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-yl)ethanone;7,19-bis(2-methoxyethoxy)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene;2-[2-(1,5-dimethylimidazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,5-dimethylimidazole;2-dodecyl-5-[17-(5-dodecylfuran-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]furan;19-isocyano-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene-7-carbonitrile;5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-oxazole;5-methyl-2-[2-(5-methyl-1,3-thiazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-thiazole;7-propyl-19-(3,3,3-trifluoropropyl)-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene (CID 159771348) is 1-(19-acetyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-yl)ethanone;7,19-bis(2-methoxyethoxy)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene;2-[2-(1,5-dimethylimidazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,5-dimethylimidazole;2-dodecyl-5-[17-(5-dodecylfuran-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]furan;19-isocyano-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene-7-carbonitrile;5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-oxazole;5-methyl-2-[2-(5-methyl-1,3-thiazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-thiazole;7-propyl-19-(3,3,3-trifluoropropyl)-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene.

What is the SMILES notation for 1-(19-acetyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-yl)ethanone;7,19-bis(2-methoxyethoxy)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene;2-[2-(1,5-dimethylimidazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,5-dimethylimidazole;2-dodecyl-5-[17-(5-dodecylfuran-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]furan;19-isocyano-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene-7-carbonitrile;5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-oxazole;5-methyl-2-[2-(5-methyl-1,3-thiazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-thiazole;7-propyl-19-(3,3,3-trifluoropropyl)-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene?

The canonical SMILES for 1-(19-acetyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-yl)ethanone;7,19-bis(2-methoxyethoxy)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene;2-[2-(1,5-dimethylimidazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,5-dimethylimidazole;2-dodecyl-5-[17-(5-dodecylfuran-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]furan;19-isocyano-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene-7-carbonitrile;5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-oxazole;5-methyl-2-[2-(5-methyl-1,3-thiazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-thiazole;7-propyl-19-(3,3,3-trifluoropropyl)-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene is CC(=O)c1ccc2cc3c(cc2c1)sc1c2cc4ccc(C(C)=O)cc4cc2sc31.CCCCCCCCCCCCc1ccc(-c2ccc3c(c2)sc2cc4c(cc23)sc2cc(-c3ccc(CCCCCCCCCCCC)o3)ccc24)o1.CCCc1ccc2c(ccc3c2sc2c4ccc5cc(CCC(F)(F)F)ccc5c4sc32)c1.COCCOc1ccc2cc3c(cc2c1)sc1c2cc4ccc(OCCOC)cc4cc2sc31.Cc1cnc(-c2ccc3c(c2)sc2c4ccc(-c5ncc(C)n5C)cc4sc32)n1C.Cc1cnc(-c2ccc3c(c2)sc2c4ccc(-c5ncc(C)o5)cc4sc32)o1.Cc1cnc(-c2ccc3c(c2)sc2c4ccc(-c5ncc(C)s5)cc4sc32)s1.[C-]#[N+]c1ccc2cc3c(cc2c1)sc1c2cc4ccc(C#N)cc4cc2sc31.

What is the InChIKey of 1-(19-acetyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-yl)ethanone;7,19-bis(2-methoxyethoxy)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene;2-[2-(1,5-dimethylimidazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,5-dimethylimidazole;2-dodecyl-5-[17-(5-dodecylfuran-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]furan;19-isocyano-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene-7-carbonitrile;5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-oxazole;5-methyl-2-[2-(5-methyl-1,3-thiazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-thiazole;7-propyl-19-(3,3,3-trifluoropropyl)-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene?

The InChIKey is NGDOUEUHIJGOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H62O2S2.C28H21F3S2.C28H24O4S2.C26H16O2S2.C24H20N4S2.C24H10N2S2.C22H14N2O2S2.C22H14N2S4/c1-3-5-7-9-11-13-15-17-19-21-23-39-27-31-45(51-39)37-25-29-41-43-35-50-44(36-49(43)53-47(41)33-37)42-30-26-38(34-48(42)54-50)46-32-28-40(52-46)24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-16-4-8-20-18(14-16)6-10-22-24(20)32-27-23-11-7-19-15-17(12-13-28(29,30)31)5-9-21(19)25(23)33-26(22)27;1-29-7-9-31-21-5-3-17-13-23-25(15-19(17)11-21)33-28-24-14-18-4-6-22(32-10-8-30-2)12-20(18)16-26(24)34-27(23)28;1-13(27)15-3-5-17-9-21-23(11-19(17)7-15)29-26-22-10-18-6-4-16(14(2)28)8-20(18)12-24(22)30-25(21)26;1-13-11-25-23(27(13)3)15-5-7-17-19(9-15)29-22-18-8-6-16(10-20(18)30-21(17)22)24-26-12-14(2)28(24)4;1-26-18-5-4-15-9-20-22(11-17(15)7-18)28-23-19-8-14-3-2-13(12-25)6-16(14)10-21(19)27-24(20)23;2*1-11-9-23-21(25-11)13-3-5-15-17(7-13)27-20-16-6-4-14(8-18(16)28-19(15)20)22-24-10-12(2)26-22/h25-36H,3-24H2,1-2H3;4-11,14-15H,2-3,12-13H2,1H3;3-6,11-16H,7-10H2,1-2H3;3-12H,1-2H3;5-12H,1-4H3;2-11H;2*3-10H,1-2H3.

What are the key properties of 1-(19-acetyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-yl)ethanone;7,19-bis(2-methoxyethoxy)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene;2-[2-(1,5-dimethylimidazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,5-dimethylimidazole;2-dodecyl-5-[17-(5-dodecylfuran-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]furan;19-isocyano-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene-7-carbonitrile;5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-oxazole;5-methyl-2-[2-(5-methyl-1,3-thiazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-thiazole;7-propyl-19-(3,3,3-trifluoropropyl)-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene?

1-(19-acetyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-yl)ethanone;7,19-bis(2-methoxyethoxy)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene;2-[2-(1,5-dimethylimidazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,5-dimethylimidazole;2-dodecyl-5-[17-(5-dodecylfuran-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]furan;19-isocyano-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene-7-carbonitrile;5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-oxazole;5-methyl-2-[2-(5-methyl-1,3-thiazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-thiazole;7-propyl-19-(3,3,3-trifluoropropyl)-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene has a molecular weight of 3807.17 g/mol, XLogP of 73.51, 44 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(19-acetyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-yl)ethanone;7,19-bis(2-methoxyethoxy)-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene;2-[2-(1,5-dimethylimidazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,5-dimethylimidazole;2-dodecyl-5-[17-(5-dodecylfuran-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]furan;19-isocyano-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene-7-carbonitrile;5-methyl-2-[2-(5-methyl-1,3-oxazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-oxazole;5-methyl-2-[2-(5-methyl-1,3-thiazol-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]-1,3-thiazole;7-propyl-19-(3,3,3-trifluoropropyl)-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene is sourced from PubChem (CID 159771348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).