C380H452N2O6S28 — CID 162211409
2-decoxy-5-[5-[4-[2-[4-[5-(5-decoxythiophen-2-yl)thiophen-2-yl]phenyl]ethynyl]phenyl]thiophen-2-yl]thiophene;2-dodecyl-5-[5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophene;2-dodecyl-5-[5-[4-[2-[4-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]ethynyl]phenyl]thiophen-2-yl]thiophene;1-ethyl-2-[5-[5-[4-[2-[4-[5-[5-(1-ethylpyrrol-2-yl)thiophen-2-yl]-4-hexylthiophen-2-yl]phenyl]ethynyl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]pyrrole;2-hexadecyl-5-[5-[5-[4-[(E)-2-[4-[5-[5-(5-hexadecylfuran-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]furan;3-methyl-5-[5-[4-[(E)-2-[4-[5-(4-methyl-5-octylthiophen-2-yl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]-2-octylthiophene;2-(2-octoxyethyl)-5-[5-[4-[(E)-2-[4-[5-[5-(2-octoxyethyl)thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophene (PubChem CID 162211409) has the molecular formula C380H452N2O6S28 and a molecular weight of 6041.68 g/mol. Its IUPAC name is 2-decoxy-5-[5-[4-[2-[4-[5-(5-decoxythiophen-2-yl)thiophen-2-yl]phenyl]ethynyl]phenyl]thiophen-2-yl]thiophene;2-dodecyl-5-[5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophene;2-dodecyl-5-[5-[4-[2-[4-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]ethynyl]phenyl]thiophen-2-yl]thiophene;1-ethyl-2-[5-[5-[4-[2-[4-[5-[5-(1-ethylpyrrol-2-yl)thiophen-2-yl]-4-hexylthiophen-2-yl]phenyl]ethynyl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]pyrrole;2-hexadecyl-5-[5-[5-[4-[(E)-2-[4-[5-[5-(5-hexadecylfuran-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]furan;3-methyl-5-[5-[4-[(E)-2-[4-[5-(4-methyl-5-octylthiophen-2-yl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]-2-octylthiophene;2-(2-octoxyethyl)-5-[5-[4-[(E)-2-[4-[5-[5-(2-octoxyethyl)thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophene.
| Compound Name | 2-decoxy-5-[5-[4-[2-[4-[5-(5-decoxythiophen-2-yl)thiophen-2-yl]phenyl]ethynyl]phenyl]thiophen-2-yl]thiophene;2-dodecyl-5-[5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophene;2-dodecyl-5-[5-[4-[2-[4-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]ethynyl]phenyl]thiophen-2-yl]thiophene;1-ethyl-2-[5-[5-[4-[2-[4-[5-[5-(1-ethylpyrrol-2-yl)thiophen-2-yl]-4-hexylthiophen-2-yl]phenyl]ethynyl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]pyrrole;2-hexadecyl-5-[5-[5-[4-[(E)-2-[4-[5-[5-(5-hexadecylfuran-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]furan;3-methyl-5-[5-[4-[(E)-2-[4-[5-(4-methyl-5-octylthiophen-2-yl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]-2-octylthiophene;2-(2-octoxyethyl)-5-[5-[4-[(E)-2-[4-[5-[5-(2-octoxyethyl)thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophene |
|---|---|
| PubChem CID | 162211409 |
| Molecular Formula | C380H452N2O6S28 |
| Molecular Weight | 6041.68 g/mol |
| Exact Mass | 6034.73 |
| IUPAC Name | 2-decoxy-5-[5-[4-[2-[4-[5-(5-decoxythiophen-2-yl)thiophen-2-yl]phenyl]ethynyl]phenyl]thiophen-2-yl]thiophene;2-dodecyl-5-[5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophene;2-dodecyl-5-[5-[4-[2-[4-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]ethynyl]phenyl]thiophen-2-yl]thiophene;1-ethyl-2-[5-[5-[4-[2-[4-[5-[5-(1-ethylpyrrol-2-yl)thiophen-2-yl]-4-hexylthiophen-2-yl]phenyl]ethynyl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]pyrrole;2-hexadecyl-5-[5-[5-[4-[(E)-2-[4-[5-[5-(5-hexadecylfuran-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]furan;3-methyl-5-[5-[4-[(E)-2-[4-[5-(4-methyl-5-octylthiophen-2-yl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]-2-octylthiophene;2-(2-octoxyethyl)-5-[5-[4-[(E)-2-[4-[5-[5-(2-octoxyethyl)thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophene |
| SMILES | CCCCCCCCCCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(/C=C/c5ccc(-c6ccc(-c7ccc(-c8ccc(CCCCCCCCCCCCCCCC)o8)s7)s6)cc5)cc4)s3)s2)o1.CCCCCCCCCCCCc1ccc(-c2ccc(-c3ccc(/C=C/c4ccc(-c5ccc(-c6ccc(CCCCCCCCCCCC)s6)s5)cc4)cc3)s2)s1.CCCCCCCCCCCCc1ccc(-c2ccc(-c3ccc(C#Cc4ccc(-c5ccc(-c6ccc(CCCCCCCCCCCC)s6)s5)cc4)cc3)s2)s1.CCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(C#Cc4ccc(-c5ccc(-c6ccc(OCCCCCCCCCC)s6)s5)cc4)cc3)s2)s1.CCCCCCCCOCCc1ccc(-c2ccc(-c3ccc(/C=C/c4ccc(-c5ccc(-c6ccc(CCOCCCCCCCC)s6)s5)cc4)cc3)s2)s1.CCCCCCCCc1sc(-c2ccc(-c3ccc(/C=C/c4ccc(-c5ccc(-c6cc(C)c(CCCCCCCC)s6)s5)cc4)cc3)s2)cc1C.CCCCCCc1cc(-c2ccc(C#Cc3ccc(-c4cc(CCCCCC)c(-c5ccc(-c6cccn6CC)s5)s4)cc3)cc2)sc1-c1ccc(-c2cccn2CC)s1 |
| InChI | InChI=1S/C70H88O2S4.C54H56N2S4.C54H68S4.C54H66S4.C50H60O2S4.C50H58O2S4.C48H56S4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-59-43-45-61(71-59)65-49-53-69(75-65)67-51-47-63(73-67)57-39-35-55(36-40-57)33-34-56-37-41-58(42-38-56)64-48-52-68(74-64)70-54-50-66(76-70)62-46-44-60(72-62)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5-9-11-13-17-43-37-51(59-53(43)49-33-31-47(57-49)45-19-15-35-55(45)7-3)41-27-23-39(24-28-41)21-22-40-25-29-42(30-26-40)52-38-44(18-14-12-10-6-2)54(60-52)50-34-32-48(58-50)46-20-16-36-56(46)8-4;2*1-3-5-7-9-11-13-15-17-19-21-23-47-35-37-51(55-47)53-41-39-49(57-53)45-31-27-43(28-32-45)25-26-44-29-33-46(34-30-44)50-40-42-54(58-50)52-38-36-48(56-52)24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-35-51-37-33-43-25-27-47(53-43)49-31-29-45(55-49)41-21-17-39(18-22-41)15-16-40-19-23-42(24-20-40)46-30-32-50(56-46)48-28-26-44(54-48)34-38-52-36-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-37-51-49-35-33-47(55-49)45-31-29-43(53-45)41-25-21-39(22-26-41)19-20-40-23-27-42(28-24-40)44-30-32-46(54-44)48-34-36-50(56-48)52-38-18-16-14-12-10-8-6-4-2;1-5-7-9-11-13-15-17-41-35(3)33-47(49-41)45-31-29-43(51-45)39-25-21-37(22-26-39)19-20-38-23-27-40(28-24-38)44-30-32-46(52-44)48-34-36(4)42(50-48)18-16-14-12-10-8-6-2/h33-54H,3-32H2,1-2H3;15-16,19-20,23-38H,5-14,17-18H2,1-4H3;25-42H,3-24H2,1-2H3;27-42H,3-24H2,1-2H3;15-32H,3-14,33-38H2,1-2H3;21-36H,3-18,37-38H2,1-2H3;19-34H,5-18H2,1-4H3/b34-33+;;26-25+;;16-15+;;20-19+ |
| InChIKey | ZSWVRBZUBHCOCZ-WKIDMXIOSA-N |
| XLogP | 132.03 |
| TPSA | 73.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 180 |
| Heavy Atoms | 416 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6041.68 |
| LogP ≤ 5 | 132.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 36 |