6,18-bis(5-dodecylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-bis(5-methylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-di(anthracen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-didodecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5,17-dimethyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dinaphthalen-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5-methyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene;2-(18-pyridin-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaen-6-yl)pyridine

C349H272N2O4S20 — CID 159004713

About 6,18-bis(5-dodecylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-bis(5-methylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-di(anthracen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-didodecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5,17-dimethyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dinaphthalen-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5-methyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene;2-(18-pyridin-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaen-6-yl)pyridine

6,18-bis(5-dodecylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-bis(5-methylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-di(anthracen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-didodecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5,17-dimethyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dinaphthalen-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5-methyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene;2-(18-pyridin-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaen-6-yl)pyridine (PubChem CID 159004713) has the molecular formula C349H272N2O4S20 and a molecular weight of 5199.37 g/mol. Its IUPAC name is 6,18-bis(5-dodecylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-bis(5-methylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-di(anthracen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-didodecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5,17-dimethyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dinaphthalen-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5-methyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene;2-(18-pyridin-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaen-6-yl)pyridine.

Molecular Properties

• Compound Name: 6,18-bis(5-dodecylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-bis(5-methylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-di(anthracen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-didodecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5,17-dimethyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dinaphthalen-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5-methyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene;2-(18-pyridin-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaen-6-yl)pyridine
• PubChem CID: 159004713
• Molecular Formula: C349H272N2O4S20
• Molecular Weight: 5199.37 g/mol
• Exact Mass: 5193.56
• IUPAC Name: 6,18-bis(5-dodecylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-bis(5-methylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-di(anthracen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-didodecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5,17-dimethyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dinaphthalen-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5-methyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene;2-(18-pyridin-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaen-6-yl)pyridine
• SMILES: CCCCCCCCCCCCc1ccc(-c2cc3cc4c(ccc5c6cc7cc(-c8ccc(CCCCCCCCCCCC)s8)sc7cc6ccc45)cc3s2)s1.CCCCCCCCCCCCc1csc2cc3ccc4c5cc6c(CCCCCCCCCCCC)csc6cc5ccc4c3cc12.Cc1cc2cc3ccc4c5cc6oc(C)cc6cc5ccc4c3cc2o1.Cc1ccc(-c2cc3cc4c(ccc5c6cc7cc(-c8ccc(C)s8)sc7cc6ccc45)cc3s2)s1.Cc1csc2cc3ccc4c5cc6c(C)csc6cc5ccc4c3cc12.Cc1csc2cc3ccc4c5cc6ccsc6cc5ccc4c3cc12.c1cc2cc3ccc4c5cc6occc6cc5ccc4c3cc2o1.c1ccc(-c2cc3cc4c(ccc5c6cc7cc(-c8ccccn8)sc7cc6ccc45)cc3s2)nc1.c1ccc2cc(-c3cc4cc5c(ccc6c7cc8cc(-c9ccc%10ccccc%10c9)sc8cc7ccc56)cc4s3)ccc2c1.c1ccc2cc3cc(-c4cc5cc6c(ccc7c8cc9cc(-c%10ccc%11cc%12ccccc%12cc%11c%10)sc9cc8ccc67)cc5s4)ccc3cc2c1
• InChI: InChI=1S/C54H64S4.C50H28S2.C46H60S2.C42H24S2.C32H18N2S2.C32H20S4.C24H16O2.C24H16S2.C23H14S2.C22H12O2/c1-3-5-7-9-11-13-15-17-19-21-23-43-27-31-49(55-43)53-37-41-33-47-39(35-51(41)57-53)25-29-46-45(47)30-26-40-36-52-42(34-48(40)46)38-54(58-52)50-32-28-44(56-50)24-22-20-18-16-14-12-10-8-6-4-2;1-3-7-31-19-39-21-37(11-9-33(39)17-29(31)5-1)47-27-41-23-45-35(25-49(41)51-47)13-15-44-43(45)16-14-36-26-50-42(24-46(36)44)28-48(52-50)38-12-10-34-18-30-6-2-4-8-32(30)20-40(34)22-38;1-3-5-7-9-11-13-15-17-19-21-23-37-33-47-45-29-35-25-28-40-39(41(35)31-43(37)45)27-26-36-30-46-44(32-42(36)40)38(34-48-46)24-22-20-18-16-14-12-10-8-6-4-2;1-3-7-27-17-31(11-9-25(27)5-1)39-23-33-19-37-29(21-41(33)43-39)13-15-36-35(37)16-14-30-22-42-34(20-38(30)36)24-40(44-42)32-12-10-26-6-2-4-8-28(26)18-32;1-3-11-33-27(5-1)31-17-21-13-25-19(15-29(21)35-31)7-9-24-23(25)10-8-20-16-30-22(14-26(20)24)18-32(36-30)28-6-2-4-12-34-28;1-17-3-9-27(33-17)31-15-21-11-25-19(13-29(21)35-31)5-7-24-23(25)8-6-20-14-30-22(12-26(20)24)16-32(36-30)28-10-4-18(2)34-28;1-13-7-17-9-15-3-5-20-19(21(15)11-23(17)25-13)6-4-16-10-18-8-14(2)26-24(18)12-22(16)20;1-13-11-25-23-7-15-3-6-18-17(21(15)9-19(13)23)5-4-16-8-24-20(10-22(16)18)14(2)12-26-24;1-13-12-25-23-10-15-3-4-17-18(21(15)11-19(13)23)5-2-14-9-22-16(6-7-24-22)8-20(14)17;1-3-17-18(19-11-21-15(5-7-23-21)9-13(1)19)4-2-14-10-16-6-8-24-22(16)12-20(14)17/h25-38H,3-24H2,1-2H3;1-28H;25-34H,3-24H2,1-2H3;1-24H;1-18H;3-16H,1-2H3;2*3-12H,1-2H3;2-12H,1H3;1-12H
• InChIKey: JRTVDMSLIYVDFD-UHFFFAOYSA-N
• XLogP: 116.52
• TPSA: 78.34 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 54
• Heavy Atoms: 375
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5199.37
LogP ≤ 5	116.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 6,18-bis(5-dodecylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-bis(5-methylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-di(anthracen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-didodecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5,17-dimethyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dinaphthalen-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5-methyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene;2-(18-pyridin-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaen-6-yl)pyridine?

The IUPAC name of 6,18-bis(5-dodecylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-bis(5-methylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-di(anthracen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-didodecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5,17-dimethyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dinaphthalen-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5-methyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene;2-(18-pyridin-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaen-6-yl)pyridine (CID 159004713) is 6,18-bis(5-dodecylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-bis(5-methylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-di(anthracen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-didodecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5,17-dimethyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dinaphthalen-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5-methyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene;2-(18-pyridin-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaen-6-yl)pyridine.

What is the SMILES notation for 6,18-bis(5-dodecylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-bis(5-methylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-di(anthracen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-didodecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5,17-dimethyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dinaphthalen-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5-methyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene;2-(18-pyridin-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaen-6-yl)pyridine?

The canonical SMILES for 6,18-bis(5-dodecylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-bis(5-methylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-di(anthracen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-didodecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5,17-dimethyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dinaphthalen-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5-methyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene;2-(18-pyridin-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaen-6-yl)pyridine is CCCCCCCCCCCCc1ccc(-c2cc3cc4c(ccc5c6cc7cc(-c8ccc(CCCCCCCCCCCC)s8)sc7cc6ccc45)cc3s2)s1.CCCCCCCCCCCCc1csc2cc3ccc4c5cc6c(CCCCCCCCCCCC)csc6cc5ccc4c3cc12.Cc1cc2cc3ccc4c5cc6oc(C)cc6cc5ccc4c3cc2o1.Cc1ccc(-c2cc3cc4c(ccc5c6cc7cc(-c8ccc(C)s8)sc7cc6ccc45)cc3s2)s1.Cc1csc2cc3ccc4c5cc6c(C)csc6cc5ccc4c3cc12.Cc1csc2cc3ccc4c5cc6ccsc6cc5ccc4c3cc12.c1cc2cc3ccc4c5cc6occc6cc5ccc4c3cc2o1.c1ccc(-c2cc3cc4c(ccc5c6cc7cc(-c8ccccn8)sc7cc6ccc45)cc3s2)nc1.c1ccc2cc(-c3cc4cc5c(ccc6c7cc8cc(-c9ccc%10ccccc%10c9)sc8cc7ccc56)cc4s3)ccc2c1.c1ccc2cc3cc(-c4cc5cc6c(ccc7c8cc9cc(-c%10ccc%11cc%12ccccc%12cc%11c%10)sc9cc8ccc67)cc5s4)ccc3cc2c1.

What is the InChIKey of 6,18-bis(5-dodecylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-bis(5-methylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-di(anthracen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-didodecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5,17-dimethyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dinaphthalen-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5-methyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene;2-(18-pyridin-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaen-6-yl)pyridine?

The InChIKey is JRTVDMSLIYVDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H64S4.C50H28S2.C46H60S2.C42H24S2.C32H18N2S2.C32H20S4.C24H16O2.C24H16S2.C23H14S2.C22H12O2/c1-3-5-7-9-11-13-15-17-19-21-23-43-27-31-49(55-43)53-37-41-33-47-39(35-51(41)57-53)25-29-46-45(47)30-26-40-36-52-42(34-48(40)46)38-54(58-52)50-32-28-44(56-50)24-22-20-18-16-14-12-10-8-6-4-2;1-3-7-31-19-39-21-37(11-9-33(39)17-29(31)5-1)47-27-41-23-45-35(25-49(41)51-47)13-15-44-43(45)16-14-36-26-50-42(24-46(36)44)28-48(52-50)38-12-10-34-18-30-6-2-4-8-32(30)20-40(34)22-38;1-3-5-7-9-11-13-15-17-19-21-23-37-33-47-45-29-35-25-28-40-39(41(35)31-43(37)45)27-26-36-30-46-44(32-42(36)40)38(34-48-46)24-22-20-18-16-14-12-10-8-6-4-2;1-3-7-27-17-31(11-9-25(27)5-1)39-23-33-19-37-29(21-41(33)43-39)13-15-36-35(37)16-14-30-22-42-34(20-38(30)36)24-40(44-42)32-12-10-26-6-2-4-8-28(26)18-32;1-3-11-33-27(5-1)31-17-21-13-25-19(15-29(21)35-31)7-9-24-23(25)10-8-20-16-30-22(14-26(20)24)18-32(36-30)28-6-2-4-12-34-28;1-17-3-9-27(33-17)31-15-21-11-25-19(13-29(21)35-31)5-7-24-23(25)8-6-20-14-30-22(12-26(20)24)16-32(36-30)28-10-4-18(2)34-28;1-13-7-17-9-15-3-5-20-19(21(15)11-23(17)25-13)6-4-16-10-18-8-14(2)26-24(18)12-22(16)20;1-13-11-25-23-7-15-3-6-18-17(21(15)9-19(13)23)5-4-16-8-24-20(10-22(16)18)14(2)12-26-24;1-13-12-25-23-10-15-3-4-17-18(21(15)11-19(13)23)5-2-14-9-22-16(6-7-24-22)8-20(14)17;1-3-17-18(19-11-21-15(5-7-23-21)9-13(1)19)4-2-14-10-16-6-8-24-22(16)12-20(14)17/h25-38H,3-24H2,1-2H3;1-28H;25-34H,3-24H2,1-2H3;1-24H;1-18H;3-16H,1-2H3;2*3-12H,1-2H3;2-12H,1H3;1-12H.

What are the key properties of 6,18-bis(5-dodecylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-bis(5-methylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-di(anthracen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-didodecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5,17-dimethyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dinaphthalen-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5-methyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene;2-(18-pyridin-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaen-6-yl)pyridine?

6,18-bis(5-dodecylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-bis(5-methylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-di(anthracen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-didodecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5,17-dimethyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dinaphthalen-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5-methyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene;2-(18-pyridin-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaen-6-yl)pyridine has a molecular weight of 5199.37 g/mol, XLogP of 116.52, 54 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6,18-bis(5-dodecylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-bis(5-methylthiophen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-di(anthracen-2-yl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-didodecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dimethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5,17-dimethyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;6,18-dinaphthalen-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene;5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene;5-methyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaene;2-(18-pyridin-2-yl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaen-6-yl)pyridine is sourced from PubChem (CID 159004713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).