About 5-[3-(2-butyloctyl)-5-[4-(2-butyloctyl)-5-[2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;1-[5-methyl-2-[5-[5-[5-[2-(5-methyl-3-tetradecylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-3-(3-octyltridecanoyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-3-yl]-3-octyltridecan-1-one;tetradecyl 5-methyl-2-[5-[5-[5-[2-[5-methyl-3-(2-octyldodecyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-(2-octyldodecyl)thiophen-2-yl]-3-tetradecoxycarbonylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophene-3-carboxylate
5-[3-(2-butyloctyl)-5-[4-(2-butyloctyl)-5-[2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;1-[5-methyl-2-[5-[5-[5-[2-(5-methyl-3-tetradecylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-3-(3-octyltridecanoyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-3-yl]-3-octyltridecan-1-one;tetradecyl 5-methyl-2-[5-[5-[5-[2-[5-methyl-3-(2-octyldodecyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-(2-octyldodecyl)thiophen-2-yl]-3-tetradecoxycarbonylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophene-3-carboxylate (PubChem CID 160822276) has the molecular formula C266H410N12O6S24
and a molecular weight of 4641.89 g/mol. Its IUPAC name is 5-[3-(2-butyloctyl)-5-[4-(2-butyloctyl)-5-[2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;1-[5-methyl-2-[5-[5-[5-[2-(5-methyl-3-tetradecylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-3-(3-octyltridecanoyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-3-yl]-3-octyltridecan-1-one;tetradecyl 5-methyl-2-[5-[5-[5-[2-[5-methyl-3-(2-octyldodecyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-(2-octyldodecyl)thiophen-2-yl]-3-tetradecoxycarbonylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophene-3-carboxylate.
Frequently Asked Questions
What is the IUPAC name of 5-[3-(2-butyloctyl)-5-[4-(2-butyloctyl)-5-[2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;1-[5-methyl-2-[5-[5-[5-[2-(5-methyl-3-tetradecylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-3-(3-octyltridecanoyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-3-yl]-3-octyltridecan-1-one;tetradecyl 5-methyl-2-[5-[5-[5-[2-[5-methyl-3-(2-octyldodecyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-(2-octyldodecyl)thiophen-2-yl]-3-tetradecoxycarbonylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophene-3-carboxylate?
The IUPAC name of 5-[3-(2-butyloctyl)-5-[4-(2-butyloctyl)-5-[2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;1-[5-methyl-2-[5-[5-[5-[2-(5-methyl-3-tetradecylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-3-(3-octyltridecanoyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-3-yl]-3-octyltridecan-1-one;tetradecyl 5-methyl-2-[5-[5-[5-[2-[5-methyl-3-(2-octyldodecyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-(2-octyldodecyl)thiophen-2-yl]-3-tetradecoxycarbonylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophene-3-carboxylate (CID 160822276) is 5-[3-(2-butyloctyl)-5-[4-(2-butyloctyl)-5-[2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;1-[5-methyl-2-[5-[5-[5-[2-(5-methyl-3-tetradecylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-3-(3-octyltridecanoyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-3-yl]-3-octyltridecan-1-one;tetradecyl 5-methyl-2-[5-[5-[5-[2-[5-methyl-3-(2-octyldodecyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-(2-octyldodecyl)thiophen-2-yl]-3-tetradecoxycarbonylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophene-3-carboxylate.
What is the SMILES notation for 5-[3-(2-butyloctyl)-5-[4-(2-butyloctyl)-5-[2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;1-[5-methyl-2-[5-[5-[5-[2-(5-methyl-3-tetradecylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-3-(3-octyltridecanoyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-3-yl]-3-octyltridecan-1-one;tetradecyl 5-methyl-2-[5-[5-[5-[2-[5-methyl-3-(2-octyldodecyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-(2-octyldodecyl)thiophen-2-yl]-3-tetradecoxycarbonylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophene-3-carboxylate?
The canonical SMILES for 5-[3-(2-butyloctyl)-5-[4-(2-butyloctyl)-5-[2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;1-[5-methyl-2-[5-[5-[5-[2-(5-methyl-3-tetradecylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-3-(3-octyltridecanoyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-3-yl]-3-octyltridecan-1-one;tetradecyl 5-methyl-2-[5-[5-[5-[2-[5-methyl-3-(2-octyldodecyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-(2-octyldodecyl)thiophen-2-yl]-3-tetradecoxycarbonylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophene-3-carboxylate is CCCCCCC(CCCC)Cc1cc(C)sc1-c1nc2sc(-c3sc(-c4cc(CC(CCCC)CCCCCC)c(-c5nc6sc(-c7sc(C)cc7CC(CCCC)CCCCCC)nc6s5)s4)cc3CC(CCCC)CCCCCC)nc2s1.CCCCCCCCCCCCCCOC(=O)c1cc(C)sc1-c1nc2sc(-c3sc(-c4cc(CC(CCCCCCCC)CCCCCCCCCC)c(-c5nc6sc(-c7sc(C)cc7CC(CCCCCCCC)CCCCCCCCCC)nc6s5)s4)cc3C(=O)OCCCCCCCCCCCCCC)nc2s1.CCCCCCCCCCCCCCc1cc(C)sc1-c1nc2sc(-c3sc(-c4cc(C(=O)CC(CCCCCCCC)CCCCCCCCCC)c(-c5nc6sc(-c7sc(C)cc7C(=O)CC(CCCCCCCC)CCCCCCCCCC)nc6s5)s4)cc3CCCCCCCCCCCCCC)nc2s1.
What is the InChIKey of 5-[3-(2-butyloctyl)-5-[4-(2-butyloctyl)-5-[2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;1-[5-methyl-2-[5-[5-[5-[2-(5-methyl-3-tetradecylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-3-(3-octyltridecanoyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-3-yl]-3-octyltridecan-1-one;tetradecyl 5-methyl-2-[5-[5-[5-[2-[5-methyl-3-(2-octyldodecyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-(2-octyldodecyl)thiophen-2-yl]-3-tetradecoxycarbonylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophene-3-carboxylate?
The InChIKey is SFRXCUAHCGFXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H150N4O4S8.C96H150N4O2S8.C74H110N4S8/c1-9-15-21-27-33-37-39-41-43-47-53-59-65-103-95(101)79-68-74(8)106-85(79)89-99-93-94(111-89)100-90(112-93)86-80(96(102)104-66-60-54-48-44-42-40-38-34-28-22-16-10-2)72-82(108-86)81-71-78(70-76(63-56-50-32-26-20-14-6)64-58-52-46-36-30-24-18-12-4)84(107-81)88-98-92-91(110-88)97-87(109-92)83-77(67-73(7)105-83)69-75(61-55-49-31-25-19-13-5)62-57-51-45-35-29-23-17-11-3;1-9-15-21-27-33-37-39-41-43-47-53-59-65-77-67-73(7)103-85(77)89-97-93-94(107-89)98-90(108-93)86-78(66-60-54-48-44-42-40-38-34-28-22-16-10-2)71-83(105-86)84-72-80(82(102)70-76(62-56-50-32-26-20-14-6)64-58-52-46-36-30-24-18-12-4)88(106-84)92-100-96-95(110-92)99-91(109-96)87-79(68-74(8)104-87)81(101)69-75(61-55-49-31-25-19-13-5)63-57-51-45-35-29-23-17-11-3;1-11-19-27-31-39-53(35-23-15-5)45-57-43-51(9)79-63(57)67-75-71-73(83-67)77-69(85-71)65-59(47-55(37-25-17-7)41-33-29-21-13-3)49-61(81-65)62-50-60(48-56(38-26-18-8)42-34-30-22-14-4)66(82-62)70-78-74-72(86-70)76-68(84-74)64-58(44-52(10)80-64)46-54(36-24-16-6)40-32-28-20-12-2/h67-68,71-72,75-76H,9-66,69-70H2,1-8H3;67-68,71-72,75-76H,9-66,69-70H2,1-8H3;43-44,49-50,53-56H,11-42,45-48H2,1-10H3.
What are the key properties of 5-[3-(2-butyloctyl)-5-[4-(2-butyloctyl)-5-[2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;1-[5-methyl-2-[5-[5-[5-[2-(5-methyl-3-tetradecylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-3-(3-octyltridecanoyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-3-yl]-3-octyltridecan-1-one;tetradecyl 5-methyl-2-[5-[5-[5-[2-[5-methyl-3-(2-octyldodecyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-(2-octyldodecyl)thiophen-2-yl]-3-tetradecoxycarbonylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophene-3-carboxylate?
5-[3-(2-butyloctyl)-5-[4-(2-butyloctyl)-5-[2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;1-[5-methyl-2-[5-[5-[5-[2-(5-methyl-3-tetradecylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-3-(3-octyltridecanoyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-3-yl]-3-octyltridecan-1-one;tetradecyl 5-methyl-2-[5-[5-[5-[2-[5-methyl-3-(2-octyldodecyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-(2-octyldodecyl)thiophen-2-yl]-3-tetradecoxycarbonylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophene-3-carboxylate has a molecular weight of 4641.89 g/mol, XLogP of 100.35, 183 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-butyloctyl)-5-[4-(2-butyloctyl)-5-[2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-2-[3-(2-butyloctyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;1-[5-methyl-2-[5-[5-[5-[2-(5-methyl-3-tetradecylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-tetradecylthiophen-2-yl]-3-(3-octyltridecanoyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-3-yl]-3-octyltridecan-1-one;tetradecyl 5-methyl-2-[5-[5-[5-[2-[5-methyl-3-(2-octyldodecyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-4-(2-octyldodecyl)thiophen-2-yl]-3-tetradecoxycarbonylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophene-3-carboxylate is sourced from PubChem (CID 160822276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).