5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate

C248H378N12O6S24 — CID 159221961

IUPAC5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate
SMILESCCCCCCCCC(CCCCCC)COC(=O)c1cc(C)sc1-c1nc2sc(-c3sc(-c4cc(CC(CCCC)CCCCCC)c(-c5nc6sc(-c7sc(C)cc7CC(CCCC)CCCCCC)nc6s5)s4)cc3C(=O)OCC(CCCCCC)CCCCCCCC)nc2s1.CCCCCCCCC(CCCCCC)COc1cc(C)sc1-c1nc2sc(-c3sc(-c4cc(CC(CCCC)CCCCCC)c(-c5nc6sc(-c7sc(C)cc7CC(CCCC)CCCCCC)nc6s5)s4)cc3OCC(CCCCCC)CCCCCCCC)nc2s1.CCCCCCCCC(CCCCCC)Cc1cc(C)sc1-c1nc2sc(-c3sc(-c4cc(CC(CCCC)CCCCCC)c(-c5nc6sc(-c7sc(C)cc7CC(CCCC)CCCCCC)nc6s5)s4)cc3CC(CCCCCC)CCCCCCCC)nc2s1
InChIInChI=1S/C84H126N4O4S8.C82H126N4O2S8.C82H126N4S8/c1-11-19-27-33-35-41-49-63(47-39-31-23-15-5)57-91-83(89)67-52-60(10)94-73(67)77-87-81-82(99-77)88-78(100-81)74-68(84(90)92-58-64(48-40-32-24-16-6)50-42-36-34-28-20-12-2)56-70(96-74)69-55-66(54-62(44-26-18-8)46-38-30-22-14-4)72(95-69)76-86-80-79(98-76)85-75(97-80)71-65(51-59(9)93-71)53-61(43-25-17-7)45-37-29-21-13-3;1-11-19-27-33-35-41-49-63(47-39-31-23-15-5)57-87-67-52-60(10)90-73(67)77-85-81-82(95-77)86-78(96-81)74-68(88-58-64(48-40-32-24-16-6)50-42-36-34-28-20-12-2)56-70(92-74)69-55-66(54-62(44-26-18-8)46-38-30-22-14-4)72(91-69)76-84-80-79(94-76)83-75(93-80)71-65(51-59(9)89-71)53-61(43-25-17-7)45-37-29-21-13-3;1-11-19-27-33-35-41-49-63(47-39-31-23-15-5)54-66-52-60(10)88-72(66)76-84-80-82(92-76)86-78(94-80)74-68(56-64(48-40-32-24-16-6)50-42-36-34-28-20-12-2)58-70(90-74)69-57-67(55-62(44-26-18-8)46-38-30-22-14-4)73(89-69)77-85-81-79(93-77)83-75(91-81)71-65(51-59(9)87-71)53-61(43-25-17-7)45-37-29-21-13-3/h51-52,55-56,61-64H,11-50,53-54,57-58H2,1-10H3;51-52,55-56,61-64H,11-50,53-54,57-58H2,1-10H3;51-52,57-58,61-64H,11-50,53-56H2,1-10H3
InChIKeyKRUPFJDJZIOJIG-UHFFFAOYSA-N
MW4393.44 g/mol
LogP93.15
Rot. Bonds163

About 5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate

5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate (PubChem CID 159221961) has the molecular formula C248H378N12O6S24 and a molecular weight of 4393.44 g/mol. Its IUPAC name is 5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Name5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate
PubChem CID159221961
Molecular FormulaC248H378N12O6S24
Molecular Weight4393.44 g/mol
Exact Mass4388.29
IUPAC Name5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate
SMILESCCCCCCCCC(CCCCCC)COC(=O)c1cc(C)sc1-c1nc2sc(-c3sc(-c4cc(CC(CCCC)CCCCCC)c(-c5nc6sc(-c7sc(C)cc7CC(CCCC)CCCCCC)nc6s5)s4)cc3C(=O)OCC(CCCCCC)CCCCCCCC)nc2s1.CCCCCCCCC(CCCCCC)COc1cc(C)sc1-c1nc2sc(-c3sc(-c4cc(CC(CCCC)CCCCCC)c(-c5nc6sc(-c7sc(C)cc7CC(CCCC)CCCCCC)nc6s5)s4)cc3OCC(CCCCCC)CCCCCCCC)nc2s1.CCCCCCCCC(CCCCCC)Cc1cc(C)sc1-c1nc2sc(-c3sc(-c4cc(CC(CCCC)CCCCCC)c(-c5nc6sc(-c7sc(C)cc7CC(CCCC)CCCCCC)nc6s5)s4)cc3CC(CCCCCC)CCCCCCCC)nc2s1
InChIInChI=1S/C84H126N4O4S8.C82H126N4O2S8.C82H126N4S8/c1-11-19-27-33-35-41-49-63(47-39-31-23-15-5)57-91-83(89)67-52-60(10)94-73(67)77-87-81-82(99-77)88-78(100-81)74-68(84(90)92-58-64(48-40-32-24-16-6)50-42-36-34-28-20-12-2)56-70(96-74)69-55-66(54-62(44-26-18-8)46-38-30-22-14-4)72(95-69)76-86-80-79(98-76)85-75(97-80)71-65(51-59(9)93-71)53-61(43-25-17-7)45-37-29-21-13-3;1-11-19-27-33-35-41-49-63(47-39-31-23-15-5)57-87-67-52-60(10)90-73(67)77-85-81-82(95-77)86-78(96-81)74-68(88-58-64(48-40-32-24-16-6)50-42-36-34-28-20-12-2)56-70(92-74)69-55-66(54-62(44-26-18-8)46-38-30-22-14-4)72(91-69)76-84-80-79(94-76)83-75(93-80)71-65(51-59(9)89-71)53-61(43-25-17-7)45-37-29-21-13-3;1-11-19-27-33-35-41-49-63(47-39-31-23-15-5)54-66-52-60(10)88-72(66)76-84-80-82(92-76)86-78(94-80)74-68(56-64(48-40-32-24-16-6)50-42-36-34-28-20-12-2)58-70(90-74)69-57-67(55-62(44-26-18-8)46-38-30-22-14-4)73(89-69)77-85-81-79(93-77)83-75(91-81)71-65(51-59(9)87-71)53-61(43-25-17-7)45-37-29-21-13-3/h51-52,55-56,61-64H,11-50,53-54,57-58H2,1-10H3;51-52,55-56,61-64H,11-50,53-54,57-58H2,1-10H3;51-52,57-58,61-64H,11-50,53-56H2,1-10H3
InChIKeyKRUPFJDJZIOJIG-UHFFFAOYSA-N
XLogP93.15
TPSA225.74 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds163
Heavy Atoms290
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004393.44
LogP ≤ 593.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate?
The IUPAC name of 5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate (CID 159221961) is 5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for 5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate?
The canonical SMILES for 5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate is CCCCCCCCC(CCCCCC)COC(=O)c1cc(C)sc1-c1nc2sc(-c3sc(-c4cc(CC(CCCC)CCCCCC)c(-c5nc6sc(-c7sc(C)cc7CC(CCCC)CCCCCC)nc6s5)s4)cc3C(=O)OCC(CCCCCC)CCCCCCCC)nc2s1.CCCCCCCCC(CCCCCC)COc1cc(C)sc1-c1nc2sc(-c3sc(-c4cc(CC(CCCC)CCCCCC)c(-c5nc6sc(-c7sc(C)cc7CC(CCCC)CCCCCC)nc6s5)s4)cc3OCC(CCCCCC)CCCCCCCC)nc2s1.CCCCCCCCC(CCCCCC)Cc1cc(C)sc1-c1nc2sc(-c3sc(-c4cc(CC(CCCC)CCCCCC)c(-c5nc6sc(-c7sc(C)cc7CC(CCCC)CCCCCC)nc6s5)s4)cc3CC(CCCCCC)CCCCCCCC)nc2s1.
What is the InChIKey of 5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate?
The InChIKey is KRUPFJDJZIOJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H126N4O4S8.C82H126N4O2S8.C82H126N4S8/c1-11-19-27-33-35-41-49-63(47-39-31-23-15-5)57-91-83(89)67-52-60(10)94-73(67)77-87-81-82(99-77)88-78(100-81)74-68(84(90)92-58-64(48-40-32-24-16-6)50-42-36-34-28-20-12-2)56-70(96-74)69-55-66(54-62(44-26-18-8)46-38-30-22-14-4)72(95-69)76-86-80-79(98-76)85-75(97-80)71-65(51-59(9)93-71)53-61(43-25-17-7)45-37-29-21-13-3;1-11-19-27-33-35-41-49-63(47-39-31-23-15-5)57-87-67-52-60(10)90-73(67)77-85-81-82(95-77)86-78(96-81)74-68(88-58-64(48-40-32-24-16-6)50-42-36-34-28-20-12-2)56-70(92-74)69-55-66(54-62(44-26-18-8)46-38-30-22-14-4)72(91-69)76-84-80-79(94-76)83-75(93-80)71-65(51-59(9)89-71)53-61(43-25-17-7)45-37-29-21-13-3;1-11-19-27-33-35-41-49-63(47-39-31-23-15-5)54-66-52-60(10)88-72(66)76-84-80-82(92-76)86-78(94-80)74-68(56-64(48-40-32-24-16-6)50-42-36-34-28-20-12-2)58-70(90-74)69-57-67(55-62(44-26-18-8)46-38-30-22-14-4)73(89-69)77-85-81-79(93-77)83-75(91-81)71-65(51-59(9)87-71)53-61(43-25-17-7)45-37-29-21-13-3/h51-52,55-56,61-64H,11-50,53-54,57-58H2,1-10H3;51-52,55-56,61-64H,11-50,53-54,57-58H2,1-10H3;51-52,57-58,61-64H,11-50,53-56H2,1-10H3.
What are the key properties of 5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate?
5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate has a molecular weight of 4393.44 g/mol, XLogP of 93.15, 163 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[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]-3-(2-hexyldecoxy)thiophen-2-yl]-2-[3-(2-hexyldecoxy)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[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]-3-(2-hexyldecyl)thiophen-2-yl]-2-[3-(2-hexyldecyl)-5-methylthiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole;2-hexyldecyl 2-[5-[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]-3-(2-hexyldecoxycarbonyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 159221961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).