2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene

C384H518O4S20 — CID 161415611

IUPAC2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene
SMILESCCCCCCC1(CCCCCC)c2ccsc2-c2sc(-c3ccc(/C=C/c4ccc(-c5cc6c(s5)-c5sccc5C6(CCCCCC)CCCCCC)cc4)cc3)cc21.CCCCCCCCCCCCCCCCc1ccc(-c2sc(-c3ccc(/C=C/c4ccc(/C=C/c5cc(OCCCCCCCC)c(/C=C/c6ccc(/C=C/c7ccc(-c8cc(CCCCCC)c(-c9ccc(CCCCCCCCCCCCCCCC)s9)s8)cc7)cc6)cc5OCCCCCCCC)cc4)cc3)cc2CCCCCC)s1.CCCCCCCCCCCCc1ccc(-c2sc(-c3ccc(/C=C/c4ccc(-c5cc(CCCCCC)c(-c6ccc(CCCCCCCCCCCC)s6)s5)cc4)cc3)cc2CCCCCC)s1.CCCCCCCCCCc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(CCCCCCCCCC)s4)cc3)cc2)s1.CCCCCCCCCCc1ccc(-c2sc(-c3ccc(/C=C/c4ccc(-c5cc(CCCCCC)c(-c6ccc(CCCCCCCCCC)s6)s5)cc4)cc3)cc2CCCCCC)s1.CCCCCCCCCOCCc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(CCOCCCCCCCCC)s4)cc3)cc2)s1
InChIInChI=1S/C114H158O2S4.C66H92S4.C62H84S4.C56H68S4.C44H60O2S2.C42H56S2/c1-7-13-19-25-29-31-33-35-37-39-41-43-45-51-57-105-83-85-109(117-105)113-103(55-49-23-17-11-5)91-111(119-113)99-77-71-97(72-78-99)69-63-93-59-65-95(66-60-93)75-81-101-89-108(116-88-54-48-28-22-16-10-4)102(90-107(101)115-87-53-47-27-21-15-9-3)82-76-96-67-61-94(62-68-96)64-70-98-73-79-100(80-74-98)112-92-104(56-50-24-18-12-6)114(120-112)110-86-84-106(118-110)58-52-46-44-42-40-38-36-34-32-30-26-20-14-8-2;1-5-9-13-17-19-21-23-25-27-31-35-59-47-49-61(67-59)65-57(33-29-15-11-7-3)51-63(69-65)55-43-39-53(40-44-55)37-38-54-41-45-56(46-42-54)64-52-58(34-30-16-12-8-4)66(70-64)62-50-48-60(68-62)36-32-28-26-24-22-20-18-14-10-6-2;1-5-9-13-17-19-21-23-27-31-55-43-45-57(63-55)61-53(29-25-15-11-7-3)47-59(65-61)51-39-35-49(36-40-51)33-34-50-37-41-52(42-38-50)60-48-54(30-26-16-12-8-4)62(66-60)58-46-44-56(64-58)32-28-24-22-20-18-14-10-6-2;1-5-9-13-17-33-55(34-18-14-10-6-2)45-31-37-57-51(45)53-47(55)39-49(59-53)43-27-23-41(24-28-43)21-22-42-25-29-44(30-26-42)50-40-48-54(60-50)52-46(32-38-58-52)56(48,35-19-15-11-7-3)36-20-16-12-8-4;1-3-5-7-9-11-13-15-33-45-35-31-41-27-29-43(47-41)39-23-19-37(20-24-39)17-18-38-21-25-40(26-22-38)44-30-28-42(48-44)32-36-46-34-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-39-31-33-41(43-39)37-27-23-35(24-28-37)21-22-36-25-29-38(30-26-36)42-34-32-40(44-42)20-18-16-14-12-10-8-6-4-2/h59-86,89-92H,7-58,87-88H2,1-6H3;37-52H,5-36H2,1-4H3;33-48H,5-32H2,1-4H3;21-32,37-40H,5-20,33-36H2,1-4H3;17-30H,3-16,31-36H2,1-2H3;21-34H,3-20H2,1-2H3/b69-63+,70-64+,81-75+,82-76+;38-37+;34-33+;22-21+;18-17+;22-21+
InChIKeyVWAUOMOTCXUJKS-SNGQYJHISA-N
MW5839.70 g/mol
LogP133.85
Rot. Bonds212

About 2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene

2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene (PubChem CID 161415611) has the molecular formula C384H518O4S20 and a molecular weight of 5839.70 g/mol. Its IUPAC name is 2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene.

Molecular Properties

Compound Name2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene
PubChem CID161415611
Molecular FormulaC384H518O4S20
Molecular Weight5839.70 g/mol
Exact Mass5833.47
IUPAC Name2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene
SMILESCCCCCCC1(CCCCCC)c2ccsc2-c2sc(-c3ccc(/C=C/c4ccc(-c5cc6c(s5)-c5sccc5C6(CCCCCC)CCCCCC)cc4)cc3)cc21.CCCCCCCCCCCCCCCCc1ccc(-c2sc(-c3ccc(/C=C/c4ccc(/C=C/c5cc(OCCCCCCCC)c(/C=C/c6ccc(/C=C/c7ccc(-c8cc(CCCCCC)c(-c9ccc(CCCCCCCCCCCCCCCC)s9)s8)cc7)cc6)cc5OCCCCCCCC)cc4)cc3)cc2CCCCCC)s1.CCCCCCCCCCCCc1ccc(-c2sc(-c3ccc(/C=C/c4ccc(-c5cc(CCCCCC)c(-c6ccc(CCCCCCCCCCCC)s6)s5)cc4)cc3)cc2CCCCCC)s1.CCCCCCCCCCc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(CCCCCCCCCC)s4)cc3)cc2)s1.CCCCCCCCCCc1ccc(-c2sc(-c3ccc(/C=C/c4ccc(-c5cc(CCCCCC)c(-c6ccc(CCCCCCCCCC)s6)s5)cc4)cc3)cc2CCCCCC)s1.CCCCCCCCCOCCc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(CCOCCCCCCCCC)s4)cc3)cc2)s1
InChIInChI=1S/C114H158O2S4.C66H92S4.C62H84S4.C56H68S4.C44H60O2S2.C42H56S2/c1-7-13-19-25-29-31-33-35-37-39-41-43-45-51-57-105-83-85-109(117-105)113-103(55-49-23-17-11-5)91-111(119-113)99-77-71-97(72-78-99)69-63-93-59-65-95(66-60-93)75-81-101-89-108(116-88-54-48-28-22-16-10-4)102(90-107(101)115-87-53-47-27-21-15-9-3)82-76-96-67-61-94(62-68-96)64-70-98-73-79-100(80-74-98)112-92-104(56-50-24-18-12-6)114(120-112)110-86-84-106(118-110)58-52-46-44-42-40-38-36-34-32-30-26-20-14-8-2;1-5-9-13-17-19-21-23-25-27-31-35-59-47-49-61(67-59)65-57(33-29-15-11-7-3)51-63(69-65)55-43-39-53(40-44-55)37-38-54-41-45-56(46-42-54)64-52-58(34-30-16-12-8-4)66(70-64)62-50-48-60(68-62)36-32-28-26-24-22-20-18-14-10-6-2;1-5-9-13-17-19-21-23-27-31-55-43-45-57(63-55)61-53(29-25-15-11-7-3)47-59(65-61)51-39-35-49(36-40-51)33-34-50-37-41-52(42-38-50)60-48-54(30-26-16-12-8-4)62(66-60)58-46-44-56(64-58)32-28-24-22-20-18-14-10-6-2;1-5-9-13-17-33-55(34-18-14-10-6-2)45-31-37-57-51(45)53-47(55)39-49(59-53)43-27-23-41(24-28-43)21-22-42-25-29-44(30-26-42)50-40-48-54(60-50)52-46(32-38-58-52)56(48,35-19-15-11-7-3)36-20-16-12-8-4;1-3-5-7-9-11-13-15-33-45-35-31-41-27-29-43(47-41)39-23-19-37(20-24-39)17-18-38-21-25-40(26-22-38)44-30-28-42(48-44)32-36-46-34-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-39-31-33-41(43-39)37-27-23-35(24-28-37)21-22-36-25-29-38(30-26-36)42-34-32-40(44-42)20-18-16-14-12-10-8-6-4-2/h59-86,89-92H,7-58,87-88H2,1-6H3;37-52H,5-36H2,1-4H3;33-48H,5-32H2,1-4H3;21-32,37-40H,5-20,33-36H2,1-4H3;17-30H,3-16,31-36H2,1-2H3;21-34H,3-20H2,1-2H3/b69-63+,70-64+,81-75+,82-76+;38-37+;34-33+;22-21+;18-17+;22-21+
InChIKeyVWAUOMOTCXUJKS-SNGQYJHISA-N
XLogP133.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds212
Heavy Atoms408
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005839.70
LogP ≤ 5133.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene?
The IUPAC name of 2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene (CID 161415611) is 2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene.
What is the SMILES notation for 2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene?
The canonical SMILES for 2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene is CCCCCCC1(CCCCCC)c2ccsc2-c2sc(-c3ccc(/C=C/c4ccc(-c5cc6c(s5)-c5sccc5C6(CCCCCC)CCCCCC)cc4)cc3)cc21.CCCCCCCCCCCCCCCCc1ccc(-c2sc(-c3ccc(/C=C/c4ccc(/C=C/c5cc(OCCCCCCCC)c(/C=C/c6ccc(/C=C/c7ccc(-c8cc(CCCCCC)c(-c9ccc(CCCCCCCCCCCCCCCC)s9)s8)cc7)cc6)cc5OCCCCCCCC)cc4)cc3)cc2CCCCCC)s1.CCCCCCCCCCCCc1ccc(-c2sc(-c3ccc(/C=C/c4ccc(-c5cc(CCCCCC)c(-c6ccc(CCCCCCCCCCCC)s6)s5)cc4)cc3)cc2CCCCCC)s1.CCCCCCCCCCc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(CCCCCCCCCC)s4)cc3)cc2)s1.CCCCCCCCCCc1ccc(-c2sc(-c3ccc(/C=C/c4ccc(-c5cc(CCCCCC)c(-c6ccc(CCCCCCCCCC)s6)s5)cc4)cc3)cc2CCCCCC)s1.CCCCCCCCCOCCc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(CCOCCCCCCCCC)s4)cc3)cc2)s1.
What is the InChIKey of 2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene?
The InChIKey is VWAUOMOTCXUJKS-SNGQYJHISA-N. The full InChI is InChI=1S/C114H158O2S4.C66H92S4.C62H84S4.C56H68S4.C44H60O2S2.C42H56S2/c1-7-13-19-25-29-31-33-35-37-39-41-43-45-51-57-105-83-85-109(117-105)113-103(55-49-23-17-11-5)91-111(119-113)99-77-71-97(72-78-99)69-63-93-59-65-95(66-60-93)75-81-101-89-108(116-88-54-48-28-22-16-10-4)102(90-107(101)115-87-53-47-27-21-15-9-3)82-76-96-67-61-94(62-68-96)64-70-98-73-79-100(80-74-98)112-92-104(56-50-24-18-12-6)114(120-112)110-86-84-106(118-110)58-52-46-44-42-40-38-36-34-32-30-26-20-14-8-2;1-5-9-13-17-19-21-23-25-27-31-35-59-47-49-61(67-59)65-57(33-29-15-11-7-3)51-63(69-65)55-43-39-53(40-44-55)37-38-54-41-45-56(46-42-54)64-52-58(34-30-16-12-8-4)66(70-64)62-50-48-60(68-62)36-32-28-26-24-22-20-18-14-10-6-2;1-5-9-13-17-19-21-23-27-31-55-43-45-57(63-55)61-53(29-25-15-11-7-3)47-59(65-61)51-39-35-49(36-40-51)33-34-50-37-41-52(42-38-50)60-48-54(30-26-16-12-8-4)62(66-60)58-46-44-56(64-58)32-28-24-22-20-18-14-10-6-2;1-5-9-13-17-33-55(34-18-14-10-6-2)45-31-37-57-51(45)53-47(55)39-49(59-53)43-27-23-41(24-28-43)21-22-42-25-29-44(30-26-42)50-40-48-54(60-50)52-46(32-38-58-52)56(48,35-19-15-11-7-3)36-20-16-12-8-4;1-3-5-7-9-11-13-15-33-45-35-31-41-27-29-43(47-41)39-23-19-37(20-24-39)17-18-38-21-25-40(26-22-38)44-30-28-42(48-44)32-36-46-34-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-39-31-33-41(43-39)37-27-23-35(24-28-37)21-22-36-25-29-38(30-26-36)42-34-32-40(44-42)20-18-16-14-12-10-8-6-4-2/h59-86,89-92H,7-58,87-88H2,1-6H3;37-52H,5-36H2,1-4H3;33-48H,5-32H2,1-4H3;21-32,37-40H,5-20,33-36H2,1-4H3;17-30H,3-16,31-36H2,1-2H3;21-34H,3-20H2,1-2H3/b69-63+,70-64+,81-75+,82-76+;38-37+;34-33+;22-21+;18-17+;22-21+.
What are the key properties of 2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene?
2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene has a molecular weight of 5839.70 g/mol, XLogP of 133.85, 212 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-5-[4-[(E)-2-[4-(5-decylthiophen-2-yl)phenyl]ethenyl]phenyl]thiophene;2-(5-decylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-decylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;4-[4-[(E)-2-[4-(7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)phenyl]ethenyl]phenyl]-7,7-dihexyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;2-(5-dodecylthiophen-2-yl)-5-[4-[(E)-2-[4-[5-(5-dodecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(5-hexadecylthiophen-2-yl)-5-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[5-(5-hexadecylthiophen-2-yl)-4-hexylthiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]phenyl]-3-hexylthiophene;2-(2-nonoxyethyl)-5-[4-[(E)-2-[4-[5-(2-nonoxyethyl)thiophen-2-yl]phenyl]ethenyl]phenyl]thiophene is sourced from PubChem (CID 161415611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).