Question 1

What is the IUPAC name of 2,5-bis(5-methylselenophen-2-yl)thieno[3,2-b]thiophene;2,6-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,7-bis(5-methylthiophen-2-yl)-[1]benzofuro[7,6-g][1]benzofuran;2,7-bis(5-methylthiophen-2-yl)-[1]benzothiolo[7,6-g][1]benzofuran;4,8-bis[2-(5-methylthiophen-2-yl)ethynyl]-4a,7a-dihydrothieno[2,3-f][1]benzothiole;2,5-bis[4-(5-methylthiophen-2-yl)phenyl]thiophene;6,15-bis(5-methylthiophen-2-yl)-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;4,10-bis(5-methylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;11-methyl-6,16-bis(5-methylthiophen-2-yl)-5,17-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene;2-methyl-5-[5-(5-methylfuran-2-yl)thieno[3,2-b]thiophen-2-yl]furan;2-methyl-5-[10-(5-methylfuran-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]furan;2-methyl-5-[6-(5-methylselenophen-2-yl)naphthalen-2-yl]selenophene;2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thieno[3,2-b]thiophen-2-yl]-1,3-thiazole;2-methyl-5-[6-(5-methylthiophen-2-yl)anthracen-2-yl]furan;2-methyl-5-[6-(5-methylthiophen-2-yl)naphthalen-2-yl]thiophene;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)selenophen-2-yl]ethenyl]selenophen-2-yl]thiophene;2-methyl-5-[2-(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiol-6-yl]furan;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethynyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene?

Accepted Answer

The IUPAC name of 2,5-bis(5-methylselenophen-2-yl)thieno[3,2-b]thiophene;2,6-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,7-bis(5-methylthiophen-2-yl)-[1]benzofuro[7,6-g][1]benzofuran;2,7-bis(5-methylthiophen-2-yl)-[1]benzothiolo[7,6-g][1]benzofuran;4,8-bis[2-(5-methylthiophen-2-yl)ethynyl]-4a,7a-dihydrothieno[2,3-f][1]benzothiole;2,5-bis[4-(5-methylthiophen-2-yl)phenyl]thiophene;6,15-bis(5-methylthiophen-2-yl)-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;4,10-bis(5-methylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;11-methyl-6,16-bis(5-methylthiophen-2-yl)-5,17-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene;2-methyl-5-[5-(5-methylfuran-2-yl)thieno[3,2-b]thiophen-2-yl]furan;2-methyl-5-[10-(5-methylfuran-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]furan;2-methyl-5-[6-(5-methylselenophen-2-yl)naphthalen-2-yl]selenophene;2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thieno[3,2-b]thiophen-2-yl]-1,3-thiazole;2-methyl-5-[6-(5-methylthiophen-2-yl)anthracen-2-yl]furan;2-methyl-5-[6-(5-methylthiophen-2-yl)naphthalen-2-yl]thiophene;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)selenophen-2-yl]ethenyl]selenophen-2-yl]thiophene;2-methyl-5-[2-(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiol-6-yl]furan;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethynyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene (CID 158564173) is 2,5-bis(5-methylselenophen-2-yl)thieno[3,2-b]thiophene;2,6-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,7-bis(5-methylthiophen-2-yl)-[1]benzofuro[7,6-g][1]benzofuran;2,7-bis(5-methylthiophen-2-yl)-[1]benzothiolo[7,6-g][1]benzofuran;4,8-bis[2-(5-methylthiophen-2-yl)ethynyl]-4a,7a-dihydrothieno[2,3-f][1]benzothiole;2,5-bis[4-(5-methylthiophen-2-yl)phenyl]thiophene;6,15-bis(5-methylthiophen-2-yl)-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;4,10-bis(5-methylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;11-methyl-6,16-bis(5-methylthiophen-2-yl)-5,17-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene;2-methyl-5-[5-(5-methylfuran-2-yl)thieno[3,2-b]thiophen-2-yl]furan;2-methyl-5-[10-(5-methylfuran-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]furan;2-methyl-5-[6-(5-methylselenophen-2-yl)naphthalen-2-yl]selenophene;2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thieno[3,2-b]thiophen-2-yl]-1,3-thiazole;2-methyl-5-[6-(5-methylthiophen-2-yl)anthracen-2-yl]furan;2-methyl-5-[6-(5-methylthiophen-2-yl)naphthalen-2-yl]thiophene;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)selenophen-2-yl]ethenyl]selenophen-2-yl]thiophene;2-methyl-5-[2-(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiol-6-yl]furan;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethynyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene.

Question 2

What is the SMILES notation for 2,5-bis(5-methylselenophen-2-yl)thieno[3,2-b]thiophene;2,6-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,7-bis(5-methylthiophen-2-yl)-[1]benzofuro[7,6-g][1]benzofuran;2,7-bis(5-methylthiophen-2-yl)-[1]benzothiolo[7,6-g][1]benzofuran;4,8-bis[2-(5-methylthiophen-2-yl)ethynyl]-4a,7a-dihydrothieno[2,3-f][1]benzothiole;2,5-bis[4-(5-methylthiophen-2-yl)phenyl]thiophene;6,15-bis(5-methylthiophen-2-yl)-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;4,10-bis(5-methylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;11-methyl-6,16-bis(5-methylthiophen-2-yl)-5,17-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene;2-methyl-5-[5-(5-methylfuran-2-yl)thieno[3,2-b]thiophen-2-yl]furan;2-methyl-5-[10-(5-methylfuran-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]furan;2-methyl-5-[6-(5-methylselenophen-2-yl)naphthalen-2-yl]selenophene;2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thieno[3,2-b]thiophen-2-yl]-1,3-thiazole;2-methyl-5-[6-(5-methylthiophen-2-yl)anthracen-2-yl]furan;2-methyl-5-[6-(5-methylthiophen-2-yl)naphthalen-2-yl]thiophene;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)selenophen-2-yl]ethenyl]selenophen-2-yl]thiophene;2-methyl-5-[2-(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiol-6-yl]furan;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethynyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene?

Accepted Answer

The canonical SMILES for 2,5-bis(5-methylselenophen-2-yl)thieno[3,2-b]thiophene;2,6-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,7-bis(5-methylthiophen-2-yl)-[1]benzofuro[7,6-g][1]benzofuran;2,7-bis(5-methylthiophen-2-yl)-[1]benzothiolo[7,6-g][1]benzofuran;4,8-bis[2-(5-methylthiophen-2-yl)ethynyl]-4a,7a-dihydrothieno[2,3-f][1]benzothiole;2,5-bis[4-(5-methylthiophen-2-yl)phenyl]thiophene;6,15-bis(5-methylthiophen-2-yl)-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;4,10-bis(5-methylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;11-methyl-6,16-bis(5-methylthiophen-2-yl)-5,17-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene;2-methyl-5-[5-(5-methylfuran-2-yl)thieno[3,2-b]thiophen-2-yl]furan;2-methyl-5-[10-(5-methylfuran-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]furan;2-methyl-5-[6-(5-methylselenophen-2-yl)naphthalen-2-yl]selenophene;2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thieno[3,2-b]thiophen-2-yl]-1,3-thiazole;2-methyl-5-[6-(5-methylthiophen-2-yl)anthracen-2-yl]furan;2-methyl-5-[6-(5-methylthiophen-2-yl)naphthalen-2-yl]thiophene;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)selenophen-2-yl]ethenyl]selenophen-2-yl]thiophene;2-methyl-5-[2-(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiol-6-yl]furan;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethynyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene is Cc1ccc(-c2cc3cc4c(cc3s2)c2cc3sc(-c5ccc(C)s5)cc3cc2n4C)s1.Cc1ccc(-c2cc3cc4sc(-c5ccc(C)[se]5)cc4cc3s2)[se]1.Cc1ccc(-c2cc3cc4sc(-c5ccc(C)s5)cc4cc3s2)o1.Cc1ccc(-c2cc3ccc4c(ccc5cc(-c6ccc(C)s6)oc54)c3o2)s1.Cc1ccc(-c2cc3ccc4c(ccc5cc(-c6ccc(C)s6)sc54)c3o2)s1.Cc1ccc(-c2cc3sc(-c4ccc(C)[se]4)cc3s2)[se]1.Cc1ccc(-c2cc3sc(-c4ccc(C)o4)cc3s2)o1.Cc1ccc(-c2cc3sc(-c4ccc(C)s4)cc3s2)s1.Cc1ccc(-c2cc3sc4cc(-c5ccc(C)o5)sc4c3s2)o1.Cc1ccc(-c2cc3sc4cc(-c5ccc(C)s5)sc4c3s2)s1.Cc1ccc(-c2cc3sc4cc5c(cc4c3s2)sc2cc(-c3ccc(C)s3)sc25)s1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)cc4)s3)cc2)s1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)s4)cc3)s2)s1.Cc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(C)s4)[se]3)[se]2)s1.Cc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(C)s4)s3)s2)s1.Cc1ccc(-c2ccc(C#Cc3ccc(-c4ccc(C)s4)s3)s2)s1.Cc1ccc(-c2ccc3cc(-c4ccc(C)[se]4)ccc3c2)[se]1.Cc1ccc(-c2ccc3cc(-c4ccc(C)s4)ccc3c2)s1.Cc1ccc(-c2ccc3cc4cc(-c5ccc(C)s5)ccc4cc3c2)o1.Cc1ccc(C#CC2=c3ccsc3=C(C#Cc3ccc(C)s3)C3C=CSC23)s1.Cc1ncc(-c2cc3sc(-c4cnc(C)s4)cc3s2)s1.

Question 3

What is the InChIKey of 2,5-bis(5-methylselenophen-2-yl)thieno[3,2-b]thiophene;2,6-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,7-bis(5-methylthiophen-2-yl)-[1]benzofuro[7,6-g][1]benzofuran;2,7-bis(5-methylthiophen-2-yl)-[1]benzothiolo[7,6-g][1]benzofuran;4,8-bis[2-(5-methylthiophen-2-yl)ethynyl]-4a,7a-dihydrothieno[2,3-f][1]benzothiole;2,5-bis[4-(5-methylthiophen-2-yl)phenyl]thiophene;6,15-bis(5-methylthiophen-2-yl)-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;4,10-bis(5-methylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;11-methyl-6,16-bis(5-methylthiophen-2-yl)-5,17-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene;2-methyl-5-[5-(5-methylfuran-2-yl)thieno[3,2-b]thiophen-2-yl]furan;2-methyl-5-[10-(5-methylfuran-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]furan;2-methyl-5-[6-(5-methylselenophen-2-yl)naphthalen-2-yl]selenophene;2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thieno[3,2-b]thiophen-2-yl]-1,3-thiazole;2-methyl-5-[6-(5-methylthiophen-2-yl)anthracen-2-yl]furan;2-methyl-5-[6-(5-methylthiophen-2-yl)naphthalen-2-yl]thiophene;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)selenophen-2-yl]ethenyl]selenophen-2-yl]thiophene;2-methyl-5-[2-(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiol-6-yl]furan;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethynyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene?

Accepted Answer

The InChIKey is HRGNUSMBUIYBBE-LQQVMOJFSA-N. The full InChI is InChI=1S/C27H19NS4.C26H20S3.C24H16O2S2.C24H16OS3.C24H18OS.C24H14S6.C24H18S4.C24H16S4.C20H14OS3.C20H16S4.C20H14S4.C20H14S2Se2.C20H16S2Se2.C20H16S2.C20H16Se2.C18H12O2S3.C18H12S5.C16H12O2S2.C16H12S4.C16H12S2Se2.C14H10N2S4/c1-14-4-6-22(29-14)26-10-16-8-20-18(12-24(16)31-26)19-13-25-17(9-21(19)28(20)3)11-27(32-25)23-7-5-15(2)30-23;1-17-3-13-23(27-17)19-5-9-21(10-6-19)25-15-16-26(29-25)22-11-7-20(8-12-22)24-14-4-18(2)28-24;1-13-3-9-21(27-13)19-11-15-5-7-18-17(23(15)25-19)8-6-16-12-20(26-24(16)18)22-10-4-14(2)28-22;1-13-3-9-20(26-13)19-11-15-5-8-18-17(23(15)25-19)7-6-16-12-22(28-24(16)18)21-10-4-14(2)27-21;1-15-3-9-23(25-15)19-7-5-17-12-22-14-20(24-10-4-16(2)26-24)8-6-18(22)11-21(17)13-19;1-11-3-5-15(25-11)19-9-21-23(29-19)13-7-18-14(8-17(13)27-21)24-22(28-18)10-20(30-24)16-6-4-12(2)26-16;1-15-3-9-21(25-15)23-13-11-19(27-23)17-5-7-18(8-6-17)20-12-14-24(28-20)22-10-4-16(2)26-22;1-15-3-5-17(27-15)7-9-19-21-11-13-26-24(21)20(22-12-14-25-23(19)22)10-8-18-6-4-16(2)28-18;1-11-3-5-15(21-11)19-9-13-7-18-14(8-17(13)23-19)10-20(24-18)16-6-4-12(2)22-16;2*1-13-3-9-17(21-13)19-11-7-15(23-19)5-6-16-8-12-20(24-16)18-10-4-14(2)22-18;1-11-3-5-19(23-11)17-9-13-7-16-14(8-15(13)21-17)10-18(22-16)20-6-4-12(2)24-20;1-13-3-9-17(21-13)19-11-7-15(23-19)5-6-16-8-12-20(24-16)18-10-4-14(2)22-18;2*1-13-3-9-19(21-13)17-7-5-16-12-18(8-6-15(16)11-17)20-10-4-14(2)22-20;2*1-9-3-5-11(19-9)13-7-15-17(22-13)18-16(21-15)8-14(23-18)12-6-4-10(2)20-12;2*1-9-3-5-11(17-9)13-7-15-16(19-13)8-14(20-15)12-6-4-10(2)18-12;1-9-3-5-15(19-9)13-7-11-12(17-13)8-14(18-11)16-6-4-10(2)20-16;1-7-15-5-13(17-7)11-3-9-10(19-11)4-12(20-9)14-6-16-8(2)18-14/h4-13H,1-3H3;3-16H,1-2H3;2*3-12H,1-2H3;3-14H,1-2H3;3-10H,1-2H3;3-14H,1-2H3;3-6,11-14,21,24H,1-2H3;3-10H,1-2H3;3-12H,1-2H3;3-4,7-12H,1-2H3;3-10H,1-2H3;3-12H,1-2H3;2*3-12H,1-2H3;2*3-8H,1-2H3;3*3-8H,1-2H3;3-6H,1-2H3/b;;;;;;;;;6-5+;;;6-5+;;;;;;;;.

Question 4

What are the key properties of 2,5-bis(5-methylselenophen-2-yl)thieno[3,2-b]thiophene;2,6-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,7-bis(5-methylthiophen-2-yl)-[1]benzofuro[7,6-g][1]benzofuran;2,7-bis(5-methylthiophen-2-yl)-[1]benzothiolo[7,6-g][1]benzofuran;4,8-bis[2-(5-methylthiophen-2-yl)ethynyl]-4a,7a-dihydrothieno[2,3-f][1]benzothiole;2,5-bis[4-(5-methylthiophen-2-yl)phenyl]thiophene;6,15-bis(5-methylthiophen-2-yl)-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;4,10-bis(5-methylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;11-methyl-6,16-bis(5-methylthiophen-2-yl)-5,17-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene;2-methyl-5-[5-(5-methylfuran-2-yl)thieno[3,2-b]thiophen-2-yl]furan;2-methyl-5-[10-(5-methylfuran-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]furan;2-methyl-5-[6-(5-methylselenophen-2-yl)naphthalen-2-yl]selenophene;2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thieno[3,2-b]thiophen-2-yl]-1,3-thiazole;2-methyl-5-[6-(5-methylthiophen-2-yl)anthracen-2-yl]furan;2-methyl-5-[6-(5-methylthiophen-2-yl)naphthalen-2-yl]thiophene;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)selenophen-2-yl]ethenyl]selenophen-2-yl]thiophene;2-methyl-5-[2-(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiol-6-yl]furan;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethynyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene?

Accepted Answer

2,5-bis(5-methylselenophen-2-yl)thieno[3,2-b]thiophene;2,6-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,7-bis(5-methylthiophen-2-yl)-[1]benzofuro[7,6-g][1]benzofuran;2,7-bis(5-methylthiophen-2-yl)-[1]benzothiolo[7,6-g][1]benzofuran;4,8-bis[2-(5-methylthiophen-2-yl)ethynyl]-4a,7a-dihydrothieno[2,3-f][1]benzothiole;2,5-bis[4-(5-methylthiophen-2-yl)phenyl]thiophene;6,15-bis(5-methylthiophen-2-yl)-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;4,10-bis(5-methylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;11-methyl-6,16-bis(5-methylthiophen-2-yl)-5,17-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene;2-methyl-5-[5-(5-methylfuran-2-yl)thieno[3,2-b]thiophen-2-yl]furan;2-methyl-5-[10-(5-methylfuran-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]furan;2-methyl-5-[6-(5-methylselenophen-2-yl)naphthalen-2-yl]selenophene;2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thieno[3,2-b]thiophen-2-yl]-1,3-thiazole;2-methyl-5-[6-(5-methylthiophen-2-yl)anthracen-2-yl]furan;2-methyl-5-[6-(5-methylthiophen-2-yl)naphthalen-2-yl]thiophene;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)selenophen-2-yl]ethenyl]selenophen-2-yl]thiophene;2-methyl-5-[2-(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiol-6-yl]furan;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethynyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene has a molecular weight of 8410.27 g/mol, XLogP of 155.52, 48 rotatable bonds, 0 hydrogen bond donors, and 76 hydrogen bond acceptors.

Question 5

Where does this data come from?

Accepted Answer

All data for 2,5-bis(5-methylselenophen-2-yl)thieno[3,2-b]thiophene;2,6-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,7-bis(5-methylthiophen-2-yl)-[1]benzofuro[7,6-g][1]benzofuran;2,7-bis(5-methylthiophen-2-yl)-[1]benzothiolo[7,6-g][1]benzofuran;4,8-bis[2-(5-methylthiophen-2-yl)ethynyl]-4a,7a-dihydrothieno[2,3-f][1]benzothiole;2,5-bis[4-(5-methylthiophen-2-yl)phenyl]thiophene;6,15-bis(5-methylthiophen-2-yl)-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;4,10-bis(5-methylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;11-methyl-6,16-bis(5-methylthiophen-2-yl)-5,17-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene;2-methyl-5-[5-(5-methylfuran-2-yl)thieno[3,2-b]thiophen-2-yl]furan;2-methyl-5-[10-(5-methylfuran-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]furan;2-methyl-5-[6-(5-methylselenophen-2-yl)naphthalen-2-yl]selenophene;2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thieno[3,2-b]thiophen-2-yl]-1,3-thiazole;2-methyl-5-[6-(5-methylthiophen-2-yl)anthracen-2-yl]furan;2-methyl-5-[6-(5-methylthiophen-2-yl)naphthalen-2-yl]thiophene;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)selenophen-2-yl]ethenyl]selenophen-2-yl]thiophene;2-methyl-5-[2-(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiol-6-yl]furan;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethynyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 158564173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Compound Name	2,5-bis(5-methylselenophen-2-yl)thieno[3,2-b]thiophene;2,6-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,7-bis(5-methylthiophen-2-yl)-[1]benzofuro[7,6-g][1]benzofuran;2,7-bis(5-methylthiophen-2-yl)-[1]benzothiolo[7,6-g][1]benzofuran;4,8-bis[2-(5-methylthiophen-2-yl)ethynyl]-4a,7a-dihydrothieno[2,3-f][1]benzothiole;2,5-bis[4-(5-methylthiophen-2-yl)phenyl]thiophene;6,15-bis(5-methylthiophen-2-yl)-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;4,10-bis(5-methylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;11-methyl-6,16-bis(5-methylthiophen-2-yl)-5,17-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene;2-methyl-5-[5-(5-methylfuran-2-yl)thieno[3,2-b]thiophen-2-yl]furan;2-methyl-5-[10-(5-methylfuran-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]furan;2-methyl-5-[6-(5-methylselenophen-2-yl)naphthalen-2-yl]selenophene;2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thieno[3,2-b]thiophen-2-yl]-1,3-thiazole;2-methyl-5-[6-(5-methylthiophen-2-yl)anthracen-2-yl]furan;2-methyl-5-[6-(5-methylthiophen-2-yl)naphthalen-2-yl]thiophene;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)selenophen-2-yl]ethenyl]selenophen-2-yl]thiophene;2-methyl-5-[2-(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiol-6-yl]furan;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethynyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
PubChem CID	158564173
Molecular Formula	C435H313N3O9S64Se8
Molecular Weight	8410.27 g/mol
Exact Mass	8406.96
IUPAC Name	2,5-bis(5-methylselenophen-2-yl)thieno[3,2-b]thiophene;2,6-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,7-bis(5-methylthiophen-2-yl)-[1]benzofuro[7,6-g][1]benzofuran;2,7-bis(5-methylthiophen-2-yl)-[1]benzothiolo[7,6-g][1]benzofuran;4,8-bis[2-(5-methylthiophen-2-yl)ethynyl]-4a,7a-dihydrothieno[2,3-f][1]benzothiole;2,5-bis[4-(5-methylthiophen-2-yl)phenyl]thiophene;6,15-bis(5-methylthiophen-2-yl)-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene;2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;4,10-bis(5-methylthiophen-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene;11-methyl-6,16-bis(5-methylthiophen-2-yl)-5,17-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene;2-methyl-5-[5-(5-methylfuran-2-yl)thieno[3,2-b]thiophen-2-yl]furan;2-methyl-5-[10-(5-methylfuran-2-yl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]furan;2-methyl-5-[6-(5-methylselenophen-2-yl)naphthalen-2-yl]selenophene;2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thieno[3,2-b]thiophen-2-yl]-1,3-thiazole;2-methyl-5-[6-(5-methylthiophen-2-yl)anthracen-2-yl]furan;2-methyl-5-[6-(5-methylthiophen-2-yl)naphthalen-2-yl]thiophene;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)selenophen-2-yl]ethenyl]selenophen-2-yl]thiophene;2-methyl-5-[2-(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiol-6-yl]furan;2-methyl-5-[5-[(E)-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]ethynyl]thiophen-2-yl]thiophene;2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
SMILES	Cc1ccc(-c2cc3cc4c(cc3s2)c2cc3sc(-c5ccc(C)s5)cc3cc2n4C)s1.Cc1ccc(-c2cc3cc4sc(-c5ccc(C)[se]5)cc4cc3s2)[se]1.Cc1ccc(-c2cc3cc4sc(-c5ccc(C)s5)cc4cc3s2)o1.Cc1ccc(-c2cc3ccc4c(ccc5cc(-c6ccc(C)s6)oc54)c3o2)s1.Cc1ccc(-c2cc3ccc4c(ccc5cc(-c6ccc(C)s6)sc54)c3o2)s1.Cc1ccc(-c2cc3sc(-c4ccc(C)[se]4)cc3s2)[se]1.Cc1ccc(-c2cc3sc(-c4ccc(C)o4)cc3s2)o1.Cc1ccc(-c2cc3sc(-c4ccc(C)s4)cc3s2)s1.Cc1ccc(-c2cc3sc4cc(-c5ccc(C)o5)sc4c3s2)o1.Cc1ccc(-c2cc3sc4cc(-c5ccc(C)s5)sc4c3s2)s1.Cc1ccc(-c2cc3sc4cc5c(cc4c3s2)sc2cc(-c3ccc(C)s3)sc25)s1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)cc4)s3)cc2)s1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)s4)cc3)s2)s1.Cc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(C)s4)[se]3)[se]2)s1.Cc1ccc(-c2ccc(/C=C/c3ccc(-c4ccc(C)s4)s3)s2)s1.Cc1ccc(-c2ccc(C#Cc3ccc(-c4ccc(C)s4)s3)s2)s1.Cc1ccc(-c2ccc3cc(-c4ccc(C)[se]4)ccc3c2)[se]1.Cc1ccc(-c2ccc3cc(-c4ccc(C)s4)ccc3c2)s1.Cc1ccc(-c2ccc3cc4cc(-c5ccc(C)s5)ccc4cc3c2)o1.Cc1ccc(C#CC2=c3ccsc3=C(C#Cc3ccc(C)s3)C3C=CSC23)s1.Cc1ncc(-c2cc3sc(-c4cnc(C)s4)cc3s2)s1
InChI	InChI=1S/C27H19NS4.C26H20S3.C24H16O2S2.C24H16OS3.C24H18OS.C24H14S6.C24H18S4.C24H16S4.C20H14OS3.C20H16S4.C20H14S4.C20H14S2Se2.C20H16S2Se2.C20H16S2.C20H16Se2.C18H12O2S3.C18H12S5.C16H12O2S2.C16H12S4.C16H12S2Se2.C14H10N2S4/c1-14-4-6-22(29-14)26-10-16-8-20-18(12-24(16)31-26)19-13-25-17(9-21(19)28(20)3)11-27(32-25)23-7-5-15(2)30-23;1-17-3-13-23(27-17)19-5-9-21(10-6-19)25-15-16-26(29-25)22-11-7-20(8-12-22)24-14-4-18(2)28-24;1-13-3-9-21(27-13)19-11-15-5-7-18-17(23(15)25-19)8-6-16-12-20(26-24(16)18)22-10-4-14(2)28-22;1-13-3-9-20(26-13)19-11-15-5-8-18-17(23(15)25-19)7-6-16-12-22(28-24(16)18)21-10-4-14(2)27-21;1-15-3-9-23(25-15)19-7-5-17-12-22-14-20(24-10-4-16(2)26-24)8-6-18(22)11-21(17)13-19;1-11-3-5-15(25-11)19-9-21-23(29-19)13-7-18-14(8-17(13)27-21)24-22(28-18)10-20(30-24)16-6-4-12(2)26-16;1-15-3-9-21(25-15)23-13-11-19(27-23)17-5-7-18(8-6-17)20-12-14-24(28-20)22-10-4-16(2)26-22;1-15-3-5-17(27-15)7-9-19-21-11-13-26-24(21)20(22-12-14-25-23(19)22)10-8-18-6-4-16(2)28-18;1-11-3-5-15(21-11)19-9-13-7-18-14(8-17(13)23-19)10-20(24-18)16-6-4-12(2)22-16;21-13-3-9-17(21-13)19-11-7-15(23-19)5-6-16-8-12-20(24-16)18-10-4-14(2)22-18;1-11-3-5-19(23-11)17-9-13-7-16-14(8-15(13)21-17)10-18(22-16)20-6-4-12(2)24-20;1-13-3-9-17(21-13)19-11-7-15(23-19)5-6-16-8-12-20(24-16)18-10-4-14(2)22-18;21-13-3-9-19(21-13)17-7-5-16-12-18(8-6-15(16)11-17)20-10-4-14(2)22-20;21-9-3-5-11(19-9)13-7-15-17(22-13)18-16(21-15)8-14(23-18)12-6-4-10(2)20-12;21-9-3-5-11(17-9)13-7-15-16(19-13)8-14(20-15)12-6-4-10(2)18-12;1-9-3-5-15(19-9)13-7-11-12(17-13)8-14(18-11)16-6-4-10(2)20-16;1-7-15-5-13(17-7)11-3-9-10(19-11)4-12(20-9)14-6-16-8(2)18-14/h4-13H,1-3H3;3-16H,1-2H3;23-12H,1-2H3;3-14H,1-2H3;3-10H,1-2H3;3-14H,1-2H3;3-6,11-14,21,24H,1-2H3;3-10H,1-2H3;3-12H,1-2H3;3-4,7-12H,1-2H3;3-10H,1-2H3;3-12H,1-2H3;23-12H,1-2H3;23-8H,1-2H3;33-8H,1-2H3;3-6H,1-2H3/b;;;;;;;;;6-5+;;;6-5+;;;;;;;;
InChIKey	HRGNUSMBUIYBBE-LQQVMOJFSA-N
XLogP	155.52
TPSA	148.97 Å²
H-Bond Donors
H-Bond Acceptors	76
Rotatable Bonds	48
Heavy Atoms	519
Complexity	—

Rule	Value
MW ≤ 500	8410.27
LogP ≤ 5	155.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	76

Molecular Properties

Lipinski Rule of Five

Frequently Asked Questions