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

C380H452N2O6S28 — CID 162211409

IUPAC2-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
SMILESCCCCCCCCCCCCCCCCc1ccc(-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
InChIInChI=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+
InChIKeyZSWVRBZUBHCOCZ-WKIDMXIOSA-N
MW6041.68 g/mol
LogP132.03
Rot. Bonds180

About 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

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.

Molecular Properties

Compound Name2-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 CID162211409
Molecular FormulaC380H452N2O6S28
Molecular Weight6041.68 g/mol
Exact Mass6034.73
IUPAC Name2-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
SMILESCCCCCCCCCCCCCCCCc1ccc(-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
InChIInChI=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+
InChIKeyZSWVRBZUBHCOCZ-WKIDMXIOSA-N
XLogP132.03
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds180
Heavy Atoms416
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006041.68
LogP ≤ 5132.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 162211409) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.
What is the InChIKey of 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?
The InChIKey is ZSWVRBZUBHCOCZ-WKIDMXIOSA-N. The full InChI is 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+.
What are the key properties of 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?
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 has a molecular weight of 6041.68 g/mol, XLogP of 132.03, 180 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162211409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).