4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid

C455H296N34O53S30 — CID 158310480

IUPAC4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid
SMILESCCOC(=O)/C(=C\c1ccc(N(c2ccc(/C=C(\C=O)c3ccc(C(=O)O)s3)cc2)c2ccc(/C=C(\C=O)c3ccc(C(=O)O)s3)cc2)cc1)c1ccc(C(=O)O)s1.CCn1c(C(=O)O)ccc1/C(C#N)=C/c1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)n5CC)s4)cc3)c3ccc4c(c3)oc3ccc(C)cc34)cc2)s1.CCn1c2ccccc2c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)s5)s4)cc3)c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)s5)s4)cc3)cc21.Cc1ccc(N(c2ccc(-c3ccc(/C=C(\C#N)c4ccc(C(=O)O)o4)s3)cc2)c2ccc(-c3ccc(/C=C(\C#N)c4ccc(C(=O)O)o4)s3)cc2)cc1.Cc1ccc(N(c2ccc(-c3ccc(/C=C(\C#N)c4cnc(C(=O)O)s4)s3)cc2)c2ccc(-c3ccc(/C=C(\C#N)c4cnc(C(=O)O)s4)s3)cc2)cc1.N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)s5)s4)cc3)c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)s5)s4)cc3)cc2)s1)c1ccc(C(=O)O)s1.[C-]#[N+]/C(=C\c1cc(CC)c(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6sc(/C=C(\[N+]#[C-])c7ccc(C(=O)O)cc7)cc6CC)s5)cc4)c4ccc(-c5ccc(-c6sc(/C=C(\[N+]#[C-])c7ccc(C(=O)O)cc7)cc6CCCC)s5)cc4)cc3)s2)s1)c1ccc(C(=O)O)cc1.[C-]#[N+]/C(=C\c1ccc(N(c2ccc(/C=C(\[N+]#[C-])c3ccc(C(=O)O)cc3)cc2)c2ccc(/C=C(\[N+]#[C-])c3ccc(C(=O)O)cc3)cc2)cc1)c1ccc(C(=O)O)cc1.[C-]#[N+]/C(=C\c1ccc(N(c2ccc(/C=C(\[N+]#[C-])c3ccc(C(=O)O)s3)cc2)c2ccc(/C=C(\[N+]#[C-])c3ccc(C(=O)O)s3)cc2)cc1)c1ccc(C(=O)O)s1
InChIInChI=1S/C80H58N4O6S6.C54H30N4O6S6.C53H39N5O5S2.C50H32N4O4S4.C48H30N4O6.C44H31NO10S3.C43H27N3O6S2.C42H24N4O6S3.C41H25N5O4S4/c1-7-10-11-59-44-65(47-68(83-6)52-16-22-58(23-17-52)80(89)90)93-77(59)74-41-38-71(96-74)55-28-34-62(35-29-55)84(60-30-24-53(25-31-60)69-36-39-72(94-69)75-48(8-2)42-63(91-75)45-66(81-4)50-12-18-56(19-13-50)78(85)86)61-32-26-54(27-33-61)70-37-40-73(95-70)76-49(9-3)43-64(92-76)46-67(82-5)51-14-20-57(21-15-51)79(87)88;55-28-34(46-19-22-49(68-46)52(59)60)25-40-13-16-43(65-40)31-1-7-37(8-2-31)58(38-9-3-32(4-10-38)44-17-14-41(66-44)26-35(29-56)47-20-23-50(69-47)53(61)62)39-11-5-33(6-12-39)45-18-15-42(67-45)27-36(30-57)48-21-24-51(70-48)54(63)64;1-4-56-44(19-21-46(56)52(59)60)35(30-54)27-40-16-24-50(64-40)33-7-11-37(12-8-33)58(39-15-18-42-43-26-32(3)6-23-48(43)63-49(42)29-39)38-13-9-34(10-14-38)51-25-17-41(65-51)28-36(31-55)45-20-22-47(53(61)62)57(45)5-2;1-2-53-41-6-4-3-5-39(41)40-18-15-36(27-42(40)53)54(34-11-7-30(8-12-34)43-19-16-37(59-43)25-32(28-51)45-21-23-47(61-45)49(55)56)35-13-9-31(10-14-35)44-20-17-38(60-44)26-33(29-52)46-22-24-48(62-46)50(57)58;1-49-43(34-10-16-37(17-11-34)46(53)54)28-31-4-22-40(23-5-31)52(41-24-6-32(7-25-41)29-44(50-2)35-12-18-38(19-13-35)47(55)56)42-26-8-33(9-27-42)30-45(51-3)36-14-20-39(21-15-36)48(57)58;1-2-55-44(54)34(37-17-20-40(58-37)43(52)53)23-28-7-13-33(14-8-28)45(31-9-3-26(4-10-31)21-29(24-46)35-15-18-38(56-35)41(48)49)32-11-5-27(6-12-32)22-30(25-47)36-16-19-39(57-36)42(50)51;1-26-2-8-31(9-3-26)46(32-10-4-27(5-11-32)40-20-14-34(53-40)22-29(24-44)36-16-18-38(51-36)42(47)48)33-12-6-28(7-13-33)41-21-15-35(54-41)23-30(25-45)37-17-19-39(52-37)43(49)50;1-43-31(34-16-19-37(53-34)40(47)48)22-25-4-10-28(11-5-25)46(29-12-6-26(7-13-29)23-32(44-2)35-17-20-38(54-35)41(49)50)30-14-8-27(9-15-30)24-33(45-3)36-18-21-39(55-36)42(51)52;1-24-2-8-29(9-3-24)46(30-10-4-25(5-11-30)34-16-14-32(51-34)18-27(20-42)36-22-44-38(53-36)40(47)48)31-12-6-26(7-13-31)35-17-15-33(52-35)19-28(21-43)37-23-45-39(54-37)41(49)50/h12-47H,7-11H2,1-3H3,(H,85,86)(H,87,88)(H,89,90);1-27H,(H,59,60)(H,61,62)(H,63,64);6-29H,4-5H2,1-3H3,(H,59,60)(H,61,62);3-27H,2H2,1H3,(H,55,56)(H,57,58);4-30H,(H,53,54)(H,55,56)(H,57,58);3-25H,2H2,1H3,(H,48,49)(H,50,51)(H,52,53);2-23H,1H3,(H,47,48)(H,49,50);4-24H,(H,47,48)(H,49,50)(H,51,52);2-19,22-23H,1H3,(H,47,48)(H,49,50)/b66-45-,67-46-,68-47-;34-25+,35-26+,36-27+;35-27+,36-28+;32-25+,33-26+;43-28-,44-29-,45-30-;29-21+,30-22+,34-23-;29-22+,30-23+;31-22-,32-23-,33-24-;27-18+,28-19+
InChIKeyGNPTYPYFQJGADS-SVJCUBAVSA-N
MW8049.57 g/mol
LogP124.73
Rot. Bonds125

About 4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid

4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid (PubChem CID 158310480) has the molecular formula C455H296N34O53S30 and a molecular weight of 8049.57 g/mol. Its IUPAC name is 4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid
PubChem CID158310480
Molecular FormulaC455H296N34O53S30
Molecular Weight8049.57 g/mol
Exact Mass8041.31
IUPAC Name4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid
SMILESCCOC(=O)/C(=C\c1ccc(N(c2ccc(/C=C(\C=O)c3ccc(C(=O)O)s3)cc2)c2ccc(/C=C(\C=O)c3ccc(C(=O)O)s3)cc2)cc1)c1ccc(C(=O)O)s1.CCn1c(C(=O)O)ccc1/C(C#N)=C/c1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)n5CC)s4)cc3)c3ccc4c(c3)oc3ccc(C)cc34)cc2)s1.CCn1c2ccccc2c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)s5)s4)cc3)c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)s5)s4)cc3)cc21.Cc1ccc(N(c2ccc(-c3ccc(/C=C(\C#N)c4ccc(C(=O)O)o4)s3)cc2)c2ccc(-c3ccc(/C=C(\C#N)c4ccc(C(=O)O)o4)s3)cc2)cc1.Cc1ccc(N(c2ccc(-c3ccc(/C=C(\C#N)c4cnc(C(=O)O)s4)s3)cc2)c2ccc(-c3ccc(/C=C(\C#N)c4cnc(C(=O)O)s4)s3)cc2)cc1.N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)s5)s4)cc3)c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)s5)s4)cc3)cc2)s1)c1ccc(C(=O)O)s1.[C-]#[N+]/C(=C\c1cc(CC)c(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6sc(/C=C(\[N+]#[C-])c7ccc(C(=O)O)cc7)cc6CC)s5)cc4)c4ccc(-c5ccc(-c6sc(/C=C(\[N+]#[C-])c7ccc(C(=O)O)cc7)cc6CCCC)s5)cc4)cc3)s2)s1)c1ccc(C(=O)O)cc1.[C-]#[N+]/C(=C\c1ccc(N(c2ccc(/C=C(\[N+]#[C-])c3ccc(C(=O)O)cc3)cc2)c2ccc(/C=C(\[N+]#[C-])c3ccc(C(=O)O)cc3)cc2)cc1)c1ccc(C(=O)O)cc1.[C-]#[N+]/C(=C\c1ccc(N(c2ccc(/C=C(\[N+]#[C-])c3ccc(C(=O)O)s3)cc2)c2ccc(/C=C(\[N+]#[C-])c3ccc(C(=O)O)s3)cc2)cc1)c1ccc(C(=O)O)s1
InChIInChI=1S/C80H58N4O6S6.C54H30N4O6S6.C53H39N5O5S2.C50H32N4O4S4.C48H30N4O6.C44H31NO10S3.C43H27N3O6S2.C42H24N4O6S3.C41H25N5O4S4/c1-7-10-11-59-44-65(47-68(83-6)52-16-22-58(23-17-52)80(89)90)93-77(59)74-41-38-71(96-74)55-28-34-62(35-29-55)84(60-30-24-53(25-31-60)69-36-39-72(94-69)75-48(8-2)42-63(91-75)45-66(81-4)50-12-18-56(19-13-50)78(85)86)61-32-26-54(27-33-61)70-37-40-73(95-70)76-49(9-3)43-64(92-76)46-67(82-5)51-14-20-57(21-15-51)79(87)88;55-28-34(46-19-22-49(68-46)52(59)60)25-40-13-16-43(65-40)31-1-7-37(8-2-31)58(38-9-3-32(4-10-38)44-17-14-41(66-44)26-35(29-56)47-20-23-50(69-47)53(61)62)39-11-5-33(6-12-39)45-18-15-42(67-45)27-36(30-57)48-21-24-51(70-48)54(63)64;1-4-56-44(19-21-46(56)52(59)60)35(30-54)27-40-16-24-50(64-40)33-7-11-37(12-8-33)58(39-15-18-42-43-26-32(3)6-23-48(43)63-49(42)29-39)38-13-9-34(10-14-38)51-25-17-41(65-51)28-36(31-55)45-20-22-47(53(61)62)57(45)5-2;1-2-53-41-6-4-3-5-39(41)40-18-15-36(27-42(40)53)54(34-11-7-30(8-12-34)43-19-16-37(59-43)25-32(28-51)45-21-23-47(61-45)49(55)56)35-13-9-31(10-14-35)44-20-17-38(60-44)26-33(29-52)46-22-24-48(62-46)50(57)58;1-49-43(34-10-16-37(17-11-34)46(53)54)28-31-4-22-40(23-5-31)52(41-24-6-32(7-25-41)29-44(50-2)35-12-18-38(19-13-35)47(55)56)42-26-8-33(9-27-42)30-45(51-3)36-14-20-39(21-15-36)48(57)58;1-2-55-44(54)34(37-17-20-40(58-37)43(52)53)23-28-7-13-33(14-8-28)45(31-9-3-26(4-10-31)21-29(24-46)35-15-18-38(56-35)41(48)49)32-11-5-27(6-12-32)22-30(25-47)36-16-19-39(57-36)42(50)51;1-26-2-8-31(9-3-26)46(32-10-4-27(5-11-32)40-20-14-34(53-40)22-29(24-44)36-16-18-38(51-36)42(47)48)33-12-6-28(7-13-33)41-21-15-35(54-41)23-30(25-45)37-17-19-39(52-37)43(49)50;1-43-31(34-16-19-37(53-34)40(47)48)22-25-4-10-28(11-5-25)46(29-12-6-26(7-13-29)23-32(44-2)35-17-20-38(54-35)41(49)50)30-14-8-27(9-15-30)24-33(45-3)36-18-21-39(55-36)42(51)52;1-24-2-8-29(9-3-24)46(30-10-4-25(5-11-30)34-16-14-32(51-34)18-27(20-42)36-22-44-38(53-36)40(47)48)31-12-6-26(7-13-31)35-17-15-33(52-35)19-28(21-43)37-23-45-39(54-37)41(49)50/h12-47H,7-11H2,1-3H3,(H,85,86)(H,87,88)(H,89,90);1-27H,(H,59,60)(H,61,62)(H,63,64);6-29H,4-5H2,1-3H3,(H,59,60)(H,61,62);3-27H,2H2,1H3,(H,55,56)(H,57,58);4-30H,(H,53,54)(H,55,56)(H,57,58);3-25H,2H2,1H3,(H,48,49)(H,50,51)(H,52,53);2-23H,1H3,(H,47,48)(H,49,50);4-24H,(H,47,48)(H,49,50)(H,51,52);2-19,22-23H,1H3,(H,47,48)(H,49,50)/b66-45-,67-46-,68-47-;34-25+,35-26+,36-27+;35-27+,36-28+;32-25+,33-26+;43-28-,44-29-,45-30-;29-21+,30-22+,34-23-;29-22+,30-23+;31-22-,32-23-,33-24-;27-18+,28-19+
InChIKeyGNPTYPYFQJGADS-SVJCUBAVSA-N
XLogP124.73
TPSA1328.42 Ų
H-Bond Donors23
H-Bond Acceptors85
Rotatable Bonds125
Heavy Atoms572
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5008049.57
LogP ≤ 5124.73
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1085

Analyze 4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid (CID 158310480) is 4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid is CCOC(=O)/C(=C\c1ccc(N(c2ccc(/C=C(\C=O)c3ccc(C(=O)O)s3)cc2)c2ccc(/C=C(\C=O)c3ccc(C(=O)O)s3)cc2)cc1)c1ccc(C(=O)O)s1.CCn1c(C(=O)O)ccc1/C(C#N)=C/c1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)n5CC)s4)cc3)c3ccc4c(c3)oc3ccc(C)cc34)cc2)s1.CCn1c2ccccc2c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)s5)s4)cc3)c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)s5)s4)cc3)cc21.Cc1ccc(N(c2ccc(-c3ccc(/C=C(\C#N)c4ccc(C(=O)O)o4)s3)cc2)c2ccc(-c3ccc(/C=C(\C#N)c4ccc(C(=O)O)o4)s3)cc2)cc1.Cc1ccc(N(c2ccc(-c3ccc(/C=C(\C#N)c4cnc(C(=O)O)s4)s3)cc2)c2ccc(-c3ccc(/C=C(\C#N)c4cnc(C(=O)O)s4)s3)cc2)cc1.N#C/C(=C\c1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)s5)s4)cc3)c3ccc(-c4ccc(/C=C(\C#N)c5ccc(C(=O)O)s5)s4)cc3)cc2)s1)c1ccc(C(=O)O)s1.[C-]#[N+]/C(=C\c1cc(CC)c(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6sc(/C=C(\[N+]#[C-])c7ccc(C(=O)O)cc7)cc6CC)s5)cc4)c4ccc(-c5ccc(-c6sc(/C=C(\[N+]#[C-])c7ccc(C(=O)O)cc7)cc6CCCC)s5)cc4)cc3)s2)s1)c1ccc(C(=O)O)cc1.[C-]#[N+]/C(=C\c1ccc(N(c2ccc(/C=C(\[N+]#[C-])c3ccc(C(=O)O)cc3)cc2)c2ccc(/C=C(\[N+]#[C-])c3ccc(C(=O)O)cc3)cc2)cc1)c1ccc(C(=O)O)cc1.[C-]#[N+]/C(=C\c1ccc(N(c2ccc(/C=C(\[N+]#[C-])c3ccc(C(=O)O)s3)cc2)c2ccc(/C=C(\[N+]#[C-])c3ccc(C(=O)O)s3)cc2)cc1)c1ccc(C(=O)O)s1.
What is the InChIKey of 4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid?
The InChIKey is GNPTYPYFQJGADS-SVJCUBAVSA-N. The full InChI is InChI=1S/C80H58N4O6S6.C54H30N4O6S6.C53H39N5O5S2.C50H32N4O4S4.C48H30N4O6.C44H31NO10S3.C43H27N3O6S2.C42H24N4O6S3.C41H25N5O4S4/c1-7-10-11-59-44-65(47-68(83-6)52-16-22-58(23-17-52)80(89)90)93-77(59)74-41-38-71(96-74)55-28-34-62(35-29-55)84(60-30-24-53(25-31-60)69-36-39-72(94-69)75-48(8-2)42-63(91-75)45-66(81-4)50-12-18-56(19-13-50)78(85)86)61-32-26-54(27-33-61)70-37-40-73(95-70)76-49(9-3)43-64(92-76)46-67(82-5)51-14-20-57(21-15-51)79(87)88;55-28-34(46-19-22-49(68-46)52(59)60)25-40-13-16-43(65-40)31-1-7-37(8-2-31)58(38-9-3-32(4-10-38)44-17-14-41(66-44)26-35(29-56)47-20-23-50(69-47)53(61)62)39-11-5-33(6-12-39)45-18-15-42(67-45)27-36(30-57)48-21-24-51(70-48)54(63)64;1-4-56-44(19-21-46(56)52(59)60)35(30-54)27-40-16-24-50(64-40)33-7-11-37(12-8-33)58(39-15-18-42-43-26-32(3)6-23-48(43)63-49(42)29-39)38-13-9-34(10-14-38)51-25-17-41(65-51)28-36(31-55)45-20-22-47(53(61)62)57(45)5-2;1-2-53-41-6-4-3-5-39(41)40-18-15-36(27-42(40)53)54(34-11-7-30(8-12-34)43-19-16-37(59-43)25-32(28-51)45-21-23-47(61-45)49(55)56)35-13-9-31(10-14-35)44-20-17-38(60-44)26-33(29-52)46-22-24-48(62-46)50(57)58;1-49-43(34-10-16-37(17-11-34)46(53)54)28-31-4-22-40(23-5-31)52(41-24-6-32(7-25-41)29-44(50-2)35-12-18-38(19-13-35)47(55)56)42-26-8-33(9-27-42)30-45(51-3)36-14-20-39(21-15-36)48(57)58;1-2-55-44(54)34(37-17-20-40(58-37)43(52)53)23-28-7-13-33(14-8-28)45(31-9-3-26(4-10-31)21-29(24-46)35-15-18-38(56-35)41(48)49)32-11-5-27(6-12-32)22-30(25-47)36-16-19-39(57-36)42(50)51;1-26-2-8-31(9-3-26)46(32-10-4-27(5-11-32)40-20-14-34(53-40)22-29(24-44)36-16-18-38(51-36)42(47)48)33-12-6-28(7-13-33)41-21-15-35(54-41)23-30(25-45)37-17-19-39(52-37)43(49)50;1-43-31(34-16-19-37(53-34)40(47)48)22-25-4-10-28(11-5-25)46(29-12-6-26(7-13-29)23-32(44-2)35-17-20-38(54-35)41(49)50)30-14-8-27(9-15-30)24-33(45-3)36-18-21-39(55-36)42(51)52;1-24-2-8-29(9-3-24)46(30-10-4-25(5-11-30)34-16-14-32(51-34)18-27(20-42)36-22-44-38(53-36)40(47)48)31-12-6-26(7-13-31)35-17-15-33(52-35)19-28(21-43)37-23-45-39(54-37)41(49)50/h12-47H,7-11H2,1-3H3,(H,85,86)(H,87,88)(H,89,90);1-27H,(H,59,60)(H,61,62)(H,63,64);6-29H,4-5H2,1-3H3,(H,59,60)(H,61,62);3-27H,2H2,1H3,(H,55,56)(H,57,58);4-30H,(H,53,54)(H,55,56)(H,57,58);3-25H,2H2,1H3,(H,48,49)(H,50,51)(H,52,53);2-23H,1H3,(H,47,48)(H,49,50);4-24H,(H,47,48)(H,49,50)(H,51,52);2-19,22-23H,1H3,(H,47,48)(H,49,50)/b66-45-,67-46-,68-47-;34-25+,35-26+,36-27+;35-27+,36-28+;32-25+,33-26+;43-28-,44-29-,45-30-;29-21+,30-22+,34-23-;29-22+,30-23+;31-22-,32-23-,33-24-;27-18+,28-19+.
What are the key properties of 4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid?
4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid has a molecular weight of 8049.57 g/mol, XLogP of 124.73, 125 rotatable bonds, 23 hydrogen bond donors, and 85 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-[5-[5-[4-[N-[4-[5-[3-butyl-5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-4-[5-[5-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-3-ethylthiophen-2-yl]thiophen-2-yl]anilino]phenyl]thiophen-2-yl]-4-ethylthiophen-2-yl]-1-isocyanoethenyl]benzoic acid;5-[(Z)-2-[5-[4-[4-[5-[(Z)-2-(5-carboxy-1-ethylpyrrol-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(8-methyldibenzofuran-3-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]-1-ethylpyrrole-2-carboxylic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(5-carboxyfuran-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]furan-2-carboxylic acid;4-[(Z)-2-[4-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(4-carboxyphenyl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]benzoic acid;5-[(E)-2-[5-[4-(N-[4-[5-[(E)-2-(2-carboxy-1,3-thiazol-5-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]-4-methylanilino)phenyl]thiophen-2-yl]-1-cyanoethenyl]-1,3-thiazole-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]phenyl]anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-2-[5-[4-[4-[5-[(E)-2-(5-carboxythiophen-2-yl)-2-cyanoethenyl]thiophen-2-yl]-N-(9-ethylcarbazol-2-yl)anilino]phenyl]thiophen-2-yl]-1-cyanoethenyl]thiophene-2-carboxylic acid;5-[(E)-1-[4-[N-[4-[(E)-2-(5-carboxythiophen-2-yl)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-4-[(E)-2-(5-carboxythiophen-2-yl)-3-oxoprop-1-enyl]anilino]phenyl]-3-oxoprop-1-en-2-yl]thiophene-2-carboxylic acid;5-[(Z)-2-[4-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]-N-[4-[(Z)-2-(5-carboxythiophen-2-yl)-2-isocyanoethenyl]phenyl]anilino]phenyl]-1-isocyanoethenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 158310480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).