N,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol

C406H444N2O3S44 — CID 162053052

IUPACN,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol
SMILESCCCCCC/C(C)=C(/S)c1ccc(-c2ccc(-c3sc(-c4ccc(/C=C/c5ccc(/C=C/c6ccc(-c7cc(CCCCCC)c(-c8ccc(-c9ccc(-c%10sccc%10CCCCCC)s9)s8)s7)cc6)cc5)cc4)cc3CCCCCC)s2)s1.CCCCCCCCOc1cc(/C=C/c2ccc(-c3ccc(CCCCCCCC)s3)s2)c(OCCCCCCCC)cc1/C=C/c1ccc(-c2ccc(-c3ccc(CCCCCCCC)s3)s2)cc1.CCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4ccc(/C=C/C=C/c5ccc(-c6cc(CCCCCC)c(-c7ccc(-c8ccc(-c9sccc9CCCCCC)s8)s7)s6)cc5)cc4)cc3CCCCCC)s2)s1.CCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4ccc(/C=N/c5ccc(-c6cc(CCCCCC)c(-c7ccc(-c8ccc(-c9sccc9CCCCCC)s8)s7)s6)cc5)cc4)cc3CCCCCC)s2)s1.CCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4ccc(C5CCN(c6ccc(-c7cc(CCCCC)c(-c8ccc(-c9ccc(-c%10sccc%10CCCCC)s9)s8)s7)cc6)C5=O)cc4)cc3CCCCC)s2)s1.CCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4ccc(CCCCc5ccc(-c6cc(CC)c(-c7ccc(-c8ccc(-c9sccc9CC)s8)s7)s6)cc5)cc4)cc3CC)s2)s1
InChIInChI=1S/C77H84S8.C72H78S8.C69H75NS8.C68H71NOS8.C64H86O2S4.C56H50S8/c1-6-10-14-18-22-54(5)74(78)68-46-42-64(80-68)65-44-48-70(82-65)76-62(24-20-16-12-8-3)52-72(84-76)59-38-34-57(35-39-59)32-30-55-26-28-56(29-27-55)31-33-58-36-40-60(41-37-58)73-53-63(25-21-17-13-9-4)77(85-73)71-49-45-67(83-71)66-43-47-69(81-66)75-61(50-51-79-75)23-19-15-11-7-2;1-5-9-13-17-25-55-45-47-73-69(55)63-41-37-59(75-63)61-39-43-65(77-61)71-57(27-19-15-11-7-3)49-67(79-71)53-33-29-51(30-34-53)23-21-22-24-52-31-35-54(36-32-52)68-50-58(28-20-16-12-8-4)72(80-68)66-44-40-62(78-66)60-38-42-64(76-60)70-56(46-48-74-70)26-18-14-10-6-2;1-5-9-13-17-21-51-41-43-71-66(51)60-37-33-56(73-60)58-35-39-62(75-58)68-53(23-19-15-11-7-3)45-64(77-68)49-27-25-48(26-28-49)47-70-55-31-29-50(30-32-55)65-46-54(24-20-16-12-8-4)69(78-65)63-40-36-59(76-63)57-34-38-61(74-57)67-52(42-44-72-67)22-18-14-10-6-2;1-5-9-13-17-48-38-41-71-64(48)58-33-29-54(73-58)56-31-35-60(75-56)66-50(19-15-11-7-3)43-62(77-66)46-23-21-45(22-24-46)53-37-40-69(68(53)70)52-27-25-47(26-28-52)63-44-51(20-16-12-8-4)67(78-63)61-36-32-57(76-61)55-30-34-59(74-55)65-49(39-42-72-65)18-14-10-6-2;1-5-9-13-17-21-25-29-55-39-42-61(67-55)62-44-41-57(69-62)38-37-54-50-58(65-47-27-23-19-15-11-7-3)53(49-59(54)66-48-28-24-20-16-12-8-4)36-33-51-31-34-52(35-32-51)60-45-46-64(70-60)63-43-40-56(68-63)30-26-22-18-14-10-6-2;1-5-37-29-31-57-53(37)47-25-21-43(59-47)45-23-27-49(61-45)55-39(7-3)33-51(63-55)41-17-13-35(14-18-41)11-9-10-12-36-15-19-42(20-16-36)52-34-40(8-4)56(64-52)50-28-24-46(62-50)44-22-26-48(60-44)54-38(6-2)30-32-58-54/h26-53,78H,6-25H2,1-5H3;21-24,29-50H,5-20,25-28H2,1-4H3;25-47H,5-24H2,1-4H3;21-36,38-39,41-44,53H,5-20,37,40H2,1-4H3;31-46,49-50H,5-30,47-48H2,1-4H3;13-34H,5-12H2,1-4H3/b32-30+,33-31+,74-54+;23-21+,24-22+;70-47+;;36-33+,38-37+;
InChIKeyYYUMTOTZKQXLPX-ZBFGPRPXSA-N
MW6810.98 g/mol
LogP147.47
Rot. Bonds173

About N,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol

N,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol (PubChem CID 162053052) has the molecular formula C406H444N2O3S44 and a molecular weight of 6810.98 g/mol. Its IUPAC name is N,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol.

Molecular Properties

Compound NameN,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol
PubChem CID162053052
Molecular FormulaC406H444N2O3S44
Molecular Weight6810.98 g/mol
Exact Mass6802.24
IUPAC NameN,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol
SMILESCCCCCC/C(C)=C(/S)c1ccc(-c2ccc(-c3sc(-c4ccc(/C=C/c5ccc(/C=C/c6ccc(-c7cc(CCCCCC)c(-c8ccc(-c9ccc(-c%10sccc%10CCCCCC)s9)s8)s7)cc6)cc5)cc4)cc3CCCCCC)s2)s1.CCCCCCCCOc1cc(/C=C/c2ccc(-c3ccc(CCCCCCCC)s3)s2)c(OCCCCCCCC)cc1/C=C/c1ccc(-c2ccc(-c3ccc(CCCCCCCC)s3)s2)cc1.CCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4ccc(/C=C/C=C/c5ccc(-c6cc(CCCCCC)c(-c7ccc(-c8ccc(-c9sccc9CCCCCC)s8)s7)s6)cc5)cc4)cc3CCCCCC)s2)s1.CCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4ccc(/C=N/c5ccc(-c6cc(CCCCCC)c(-c7ccc(-c8ccc(-c9sccc9CCCCCC)s8)s7)s6)cc5)cc4)cc3CCCCCC)s2)s1.CCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4ccc(C5CCN(c6ccc(-c7cc(CCCCC)c(-c8ccc(-c9ccc(-c%10sccc%10CCCCC)s9)s8)s7)cc6)C5=O)cc4)cc3CCCCC)s2)s1.CCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4ccc(CCCCc5ccc(-c6cc(CC)c(-c7ccc(-c8ccc(-c9sccc9CC)s8)s7)s6)cc5)cc4)cc3CC)s2)s1
InChIInChI=1S/C77H84S8.C72H78S8.C69H75NS8.C68H71NOS8.C64H86O2S4.C56H50S8/c1-6-10-14-18-22-54(5)74(78)68-46-42-64(80-68)65-44-48-70(82-65)76-62(24-20-16-12-8-3)52-72(84-76)59-38-34-57(35-39-59)32-30-55-26-28-56(29-27-55)31-33-58-36-40-60(41-37-58)73-53-63(25-21-17-13-9-4)77(85-73)71-49-45-67(83-71)66-43-47-69(81-66)75-61(50-51-79-75)23-19-15-11-7-2;1-5-9-13-17-25-55-45-47-73-69(55)63-41-37-59(75-63)61-39-43-65(77-61)71-57(27-19-15-11-7-3)49-67(79-71)53-33-29-51(30-34-53)23-21-22-24-52-31-35-54(36-32-52)68-50-58(28-20-16-12-8-4)72(80-68)66-44-40-62(78-66)60-38-42-64(76-60)70-56(46-48-74-70)26-18-14-10-6-2;1-5-9-13-17-21-51-41-43-71-66(51)60-37-33-56(73-60)58-35-39-62(75-58)68-53(23-19-15-11-7-3)45-64(77-68)49-27-25-48(26-28-49)47-70-55-31-29-50(30-32-55)65-46-54(24-20-16-12-8-4)69(78-65)63-40-36-59(76-63)57-34-38-61(74-57)67-52(42-44-72-67)22-18-14-10-6-2;1-5-9-13-17-48-38-41-71-64(48)58-33-29-54(73-58)56-31-35-60(75-56)66-50(19-15-11-7-3)43-62(77-66)46-23-21-45(22-24-46)53-37-40-69(68(53)70)52-27-25-47(26-28-52)63-44-51(20-16-12-8-4)67(78-63)61-36-32-57(76-61)55-30-34-59(74-55)65-49(39-42-72-65)18-14-10-6-2;1-5-9-13-17-21-25-29-55-39-42-61(67-55)62-44-41-57(69-62)38-37-54-50-58(65-47-27-23-19-15-11-7-3)53(49-59(54)66-48-28-24-20-16-12-8-4)36-33-51-31-34-52(35-32-51)60-45-46-64(70-60)63-43-40-56(68-63)30-26-22-18-14-10-6-2;1-5-37-29-31-57-53(37)47-25-21-43(59-47)45-23-27-49(61-45)55-39(7-3)33-51(63-55)41-17-13-35(14-18-41)11-9-10-12-36-15-19-42(20-16-36)52-34-40(8-4)56(64-52)50-28-24-46(62-50)44-22-26-48(60-44)54-38(6-2)30-32-58-54/h26-53,78H,6-25H2,1-5H3;21-24,29-50H,5-20,25-28H2,1-4H3;25-47H,5-24H2,1-4H3;21-36,38-39,41-44,53H,5-20,37,40H2,1-4H3;31-46,49-50H,5-30,47-48H2,1-4H3;13-34H,5-12H2,1-4H3/b32-30+,33-31+,74-54+;23-21+,24-22+;70-47+;;36-33+,38-37+;
InChIKeyYYUMTOTZKQXLPX-ZBFGPRPXSA-N
XLogP147.47
TPSA51.13 Ų
H-Bond Donors1
H-Bond Acceptors48
Rotatable Bonds173
Heavy Atoms455
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006810.98
LogP ≤ 5147.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1048

Analyze N,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol with MolForge

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What is the IUPAC name of N,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol?
The IUPAC name of N,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol (CID 162053052) is N,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol.
What is the SMILES notation for N,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol?
The canonical SMILES for N,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol is CCCCCC/C(C)=C(/S)c1ccc(-c2ccc(-c3sc(-c4ccc(/C=C/c5ccc(/C=C/c6ccc(-c7cc(CCCCCC)c(-c8ccc(-c9ccc(-c%10sccc%10CCCCCC)s9)s8)s7)cc6)cc5)cc4)cc3CCCCCC)s2)s1.CCCCCCCCOc1cc(/C=C/c2ccc(-c3ccc(CCCCCCCC)s3)s2)c(OCCCCCCCC)cc1/C=C/c1ccc(-c2ccc(-c3ccc(CCCCCCCC)s3)s2)cc1.CCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4ccc(/C=C/C=C/c5ccc(-c6cc(CCCCCC)c(-c7ccc(-c8ccc(-c9sccc9CCCCCC)s8)s7)s6)cc5)cc4)cc3CCCCCC)s2)s1.CCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4ccc(/C=N/c5ccc(-c6cc(CCCCCC)c(-c7ccc(-c8ccc(-c9sccc9CCCCCC)s8)s7)s6)cc5)cc4)cc3CCCCCC)s2)s1.CCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4ccc(C5CCN(c6ccc(-c7cc(CCCCC)c(-c8ccc(-c9ccc(-c%10sccc%10CCCCC)s9)s8)s7)cc6)C5=O)cc4)cc3CCCCC)s2)s1.CCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4ccc(CCCCc5ccc(-c6cc(CC)c(-c7ccc(-c8ccc(-c9sccc9CC)s8)s7)s6)cc5)cc4)cc3CC)s2)s1.
What is the InChIKey of N,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol?
The InChIKey is YYUMTOTZKQXLPX-ZBFGPRPXSA-N. The full InChI is InChI=1S/C77H84S8.C72H78S8.C69H75NS8.C68H71NOS8.C64H86O2S4.C56H50S8/c1-6-10-14-18-22-54(5)74(78)68-46-42-64(80-68)65-44-48-70(82-65)76-62(24-20-16-12-8-3)52-72(84-76)59-38-34-57(35-39-59)32-30-55-26-28-56(29-27-55)31-33-58-36-40-60(41-37-58)73-53-63(25-21-17-13-9-4)77(85-73)71-49-45-67(83-71)66-43-47-69(81-66)75-61(50-51-79-75)23-19-15-11-7-2;1-5-9-13-17-25-55-45-47-73-69(55)63-41-37-59(75-63)61-39-43-65(77-61)71-57(27-19-15-11-7-3)49-67(79-71)53-33-29-51(30-34-53)23-21-22-24-52-31-35-54(36-32-52)68-50-58(28-20-16-12-8-4)72(80-68)66-44-40-62(78-66)60-38-42-64(76-60)70-56(46-48-74-70)26-18-14-10-6-2;1-5-9-13-17-21-51-41-43-71-66(51)60-37-33-56(73-60)58-35-39-62(75-58)68-53(23-19-15-11-7-3)45-64(77-68)49-27-25-48(26-28-49)47-70-55-31-29-50(30-32-55)65-46-54(24-20-16-12-8-4)69(78-65)63-40-36-59(76-63)57-34-38-61(74-57)67-52(42-44-72-67)22-18-14-10-6-2;1-5-9-13-17-48-38-41-71-64(48)58-33-29-54(73-58)56-31-35-60(75-56)66-50(19-15-11-7-3)43-62(77-66)46-23-21-45(22-24-46)53-37-40-69(68(53)70)52-27-25-47(26-28-52)63-44-51(20-16-12-8-4)67(78-63)61-36-32-57(76-61)55-30-34-59(74-55)65-49(39-42-72-65)18-14-10-6-2;1-5-9-13-17-21-25-29-55-39-42-61(67-55)62-44-41-57(69-62)38-37-54-50-58(65-47-27-23-19-15-11-7-3)53(49-59(54)66-48-28-24-20-16-12-8-4)36-33-51-31-34-52(35-32-51)60-45-46-64(70-60)63-43-40-56(68-63)30-26-22-18-14-10-6-2;1-5-37-29-31-57-53(37)47-25-21-43(59-47)45-23-27-49(61-45)55-39(7-3)33-51(63-55)41-17-13-35(14-18-41)11-9-10-12-36-15-19-42(20-16-36)52-34-40(8-4)56(64-52)50-28-24-46(62-50)44-22-26-48(60-44)54-38(6-2)30-32-58-54/h26-53,78H,6-25H2,1-5H3;21-24,29-50H,5-20,25-28H2,1-4H3;25-47H,5-24H2,1-4H3;21-36,38-39,41-44,53H,5-20,37,40H2,1-4H3;31-46,49-50H,5-30,47-48H2,1-4H3;13-34H,5-12H2,1-4H3/b32-30+,33-31+,74-54+;23-21+,24-22+;70-47+;;36-33+,38-37+;.
What are the key properties of N,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol?
N,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol has a molecular weight of 6810.98 g/mol, XLogP of 147.47, 173 rotatable bonds, 1 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]methanimine;1,3-bis[4-[4-pentyl-5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]pyrrolidin-2-one;2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-[5-(5-octylthiophen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]phenyl]-5-(5-octylthiophen-2-yl)thiophene;3-ethyl-5-[4-[4-[4-[4-ethyl-5-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]butyl]phenyl]-2-[5-[5-(3-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;3-hexyl-5-[4-[(1E,3E)-4-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]buta-1,3-dienyl]phenyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;(E)-1-[5-[5-[3-hexyl-5-[4-[(E)-2-[4-[(E)-2-[4-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methyloct-1-ene-1-thiol is sourced from PubChem (CID 162053052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).