5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole

C248H186F6N16O7S23 — CID 158300514

IUPAC5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole
SMILESCC(C)(C)c1ccc2c(c1)CC(c1cc3sc(C4=Nc5ccc(C(C)(C)C)cc5C4)cc3s1)=N2.Cc1cc(C)c2oc(-c3cc4sc(-c5nc6cc(C)cc(C)c6s5)cc4s3)nc2c1.Cc1cc2nc(-c3sc4c(-c5ccccc5)c(-c5nc6cc(C)c(C)cc6o5)sc4c3-c3ccccc3)oc2cc1C.Cc1cc2nc(-c3sc4c(C(C)(C)C)c(-c5nc6cc(C)c(C)cc6s5)sc4c3C(C)(C)C)oc2cc1C.Cc1ccc2nc(-c3sc4c(C)c(-c5nc6ccc(C)cc6s5)sc4c3C)oc2c1.Cc1ccc2oc(-c3sc4c(C)c(-c5nc6cc(C)ccc6s5)sc4c3C)nc2c1.FC(F)(F)c1ccc2nc(-c3sc4c(-c5ccccc5)c(-c5nc6ccc(C(F)(F)F)cc6s5)sc4c3-c3ccccc3)sc2c1.c1ccc(-c2cc3nc(-c4cc5sc(-c6nc7cc(-c8ccccc8)c(-c8ccccc8)cc7s6)cc5s4)oc3cc2-c2ccccc2)cc1
InChIInChI=1S/C44H26N2OS3.C36H26N2O2S2.C34H16F6N2S4.C32H34N2OS3.C30H30N2S2.3C24H18N2OS3/c1-5-13-27(14-6-1)31-21-35-37(23-33(31)29-17-9-3-10-18-29)47-43(45-35)41-25-39-40(48-41)26-42(49-39)44-46-36-22-32(28-15-7-2-8-16-28)34(24-38(36)50-44)30-19-11-4-12-20-30;1-19-15-25-27(17-21(19)3)39-35(37-25)33-29(23-11-7-5-8-12-23)31-32(41-33)30(24-13-9-6-10-14-24)34(42-31)36-38-26-16-20(2)22(4)18-28(26)40-36;35-33(36,37)19-11-13-21-23(15-19)43-31(41-21)29-25(17-7-3-1-4-8-17)27-28(46-29)26(18-9-5-2-6-10-18)30(45-27)32-42-22-14-12-20(34(38,39)40)16-24(22)44-32;1-15-11-19-21(13-17(15)3)35-29(33-19)27-23(31(5,6)7)25-26(37-27)24(32(8,9)10)28(38-25)30-34-20-12-16(2)18(4)14-22(20)36-30;1-29(2,3)19-7-9-21-17(11-19)13-23(31-21)25-15-27-28(33-25)16-26(34-27)24-14-18-12-20(30(4,5)6)8-10-22(18)32-24;1-11-5-13(3)21-15(7-11)25-23(27-21)19-9-17-18(28-19)10-20(29-17)24-26-16-8-12(2)6-14(4)22(16)30-24;1-11-5-7-17-15(9-11)25-23(27-17)21-13(3)19-20(29-21)14(4)22(30-19)24-26-16-10-12(2)6-8-18(16)28-24;1-11-5-7-15-17(9-11)27-23(25-15)21-13(3)19-20(29-21)14(4)22(30-19)24-26-16-8-6-12(2)10-18(16)28-24/h1-26H;5-18H,1-4H3;1-16H;11-14H,1-10H3;7-12,15-16H,13-14H2,1-6H3;3*5-10H,1-4H3
InChIKeyGMLFAKCYPLIYBY-UHFFFAOYSA-N
MW4353.85 g/mol
LogP82.38
Rot. Bonds24

About 5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole

5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 158300514) has the molecular formula C248H186F6N16O7S23 and a molecular weight of 4353.85 g/mol. Its IUPAC name is 5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole
PubChem CID158300514
Molecular FormulaC248H186F6N16O7S23
Molecular Weight4353.85 g/mol
Exact Mass4348.82
IUPAC Name5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole
SMILESCC(C)(C)c1ccc2c(c1)CC(c1cc3sc(C4=Nc5ccc(C(C)(C)C)cc5C4)cc3s1)=N2.Cc1cc(C)c2oc(-c3cc4sc(-c5nc6cc(C)cc(C)c6s5)cc4s3)nc2c1.Cc1cc2nc(-c3sc4c(-c5ccccc5)c(-c5nc6cc(C)c(C)cc6o5)sc4c3-c3ccccc3)oc2cc1C.Cc1cc2nc(-c3sc4c(C(C)(C)C)c(-c5nc6cc(C)c(C)cc6s5)sc4c3C(C)(C)C)oc2cc1C.Cc1ccc2nc(-c3sc4c(C)c(-c5nc6ccc(C)cc6s5)sc4c3C)oc2c1.Cc1ccc2oc(-c3sc4c(C)c(-c5nc6cc(C)ccc6s5)sc4c3C)nc2c1.FC(F)(F)c1ccc2nc(-c3sc4c(-c5ccccc5)c(-c5nc6ccc(C(F)(F)F)cc6s5)sc4c3-c3ccccc3)sc2c1.c1ccc(-c2cc3nc(-c4cc5sc(-c6nc7cc(-c8ccccc8)c(-c8ccccc8)cc7s6)cc5s4)oc3cc2-c2ccccc2)cc1
InChIInChI=1S/C44H26N2OS3.C36H26N2O2S2.C34H16F6N2S4.C32H34N2OS3.C30H30N2S2.3C24H18N2OS3/c1-5-13-27(14-6-1)31-21-35-37(23-33(31)29-17-9-3-10-18-29)47-43(45-35)41-25-39-40(48-41)26-42(49-39)44-46-36-22-32(28-15-7-2-8-16-28)34(24-38(36)50-44)30-19-11-4-12-20-30;1-19-15-25-27(17-21(19)3)39-35(37-25)33-29(23-11-7-5-8-12-23)31-32(41-33)30(24-13-9-6-10-14-24)34(42-31)36-38-26-16-20(2)22(4)18-28(26)40-36;35-33(36,37)19-11-13-21-23(15-19)43-31(41-21)29-25(17-7-3-1-4-8-17)27-28(46-29)26(18-9-5-2-6-10-18)30(45-27)32-42-22-14-12-20(34(38,39)40)16-24(22)44-32;1-15-11-19-21(13-17(15)3)35-29(33-19)27-23(31(5,6)7)25-26(37-27)24(32(8,9)10)28(38-25)30-34-20-12-16(2)18(4)14-22(20)36-30;1-29(2,3)19-7-9-21-17(11-19)13-23(31-21)25-15-27-28(33-25)16-26(34-27)24-14-18-12-20(30(4,5)6)8-10-22(18)32-24;1-11-5-13(3)21-15(7-11)25-23(27-21)19-9-17-18(28-19)10-20(29-17)24-26-16-8-12(2)6-14(4)22(16)30-24;1-11-5-7-17-15(9-11)25-23(27-17)21-13(3)19-20(29-21)14(4)22(30-19)24-26-16-10-12(2)6-8-18(16)28-24;1-11-5-7-15-17(9-11)27-23(25-15)21-13(3)19-20(29-21)14(4)22(30-19)24-26-16-8-6-12(2)10-18(16)28-24/h1-26H;5-18H,1-4H3;1-16H;11-14H,1-10H3;7-12,15-16H,13-14H2,1-6H3;3*5-10H,1-4H3
InChIKeyGMLFAKCYPLIYBY-UHFFFAOYSA-N
XLogP82.38
TPSA297.16 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds24
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004353.85
LogP ≤ 582.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze 5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole with MolForge

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Related Compounds

6-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-benzoxazol-6-yl]propan-2-yl]-2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]propan-2-yl]phenyl]-1,3-benzoxazole
CID 57957960
6-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-benzoxazol-6-yl]propan-2-yl]-2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)phenyl]propan-2-yl]phenyl]-1,3-benzoxazole
CID 57959117
Benzo[g][1,3]benzothiazol-2-yl-dimethyl-(8-methylnaphthalen-2-yl)silane;benzo[g][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[g][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[g][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;benzo[g][1,3]benzoxazol-2-yl-dimethyl-phenylsilane;1,3-benzothiazol-2-yl-dimethyl-thiophen-3-ylsilane;(5-tert-butylthiophen-3-yl)-dimethyl-(6-methyl-1,3-benzothiazol-2-yl)silane;dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylthiophen-3-yl)silane
CID 157912259
5-methyl-2-(2-methylphenyl)-1,3-benzothiazole;5-methyl-2-phenyl-1,3-benzothiazole;5-methyl-2-phenyl-1,3-benzoxazole;bis(6-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole)
CID 157941746
methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole
CID 158586125
Benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-2-ylsilane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-phenylsilane;[5,6-bis(trifluoromethyl)-1,3-benzothiazol-2-yl]-dimethyl-[4-(trifluoromethyl)phenyl]silane;(6,7-dimethyl-1,3-benzoxazol-2-yl)-dimethyl-(4-phenylphenyl)silane;dimethyl-(6-methyl-1,3-benzothiazol-2-yl)-naphthalen-1-ylsilane;dimethyl-naphthalen-2-yl-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]silane;dimethyl-phenyl-(4,5,6,7-tetramethyl-1,3-benzoxazol-2-yl)silane
CID 159201572
2-[3,6-Ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[5-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;4-methyl-2-[5-(4-methyl-6-phenyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-phenyl-1,3-benzothiazole
CID 159239133
12-[4-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[2-(2,3,4,5,6-pentafluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 159281223
2-[9,10-Ditert-butyl-6-(5,6-dimethyl-1,3-benzothiazol-2-yl)anthracen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,7-dimethyl-1,3-benzothiazol-2-yl)anthracen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzothiazole;2-[1,5-dimethyl-6-(7-phenyl-1,3-benzoxazol-2-yl)anthracen-2-yl]-7-phenyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;6-phenyl-2-[5-(6-phenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-1,3-benzothiazole
CID 159683662
Benzo[f][1,3]benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;benzo[f][1,3]benzothiazol-2-yl-dimethyl-[4-(trifluoromethyl)phenyl]silane;benzo[f][1,3]benzoxazol-2-yl-dimethyl-(4-phenylphenyl)silane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane;dimethyl-(4-methylphenyl)-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(4-phenylphenyl)-(6-trimethylsilyl-1,3-benzoxazol-2-yl)silane
CID 159730650
1,3-Benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane;dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane;dimethyl-thiophen-3-yl-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]silane;ethyl-methyl-(5-methylthiophen-3-yl)-(6-phenyl-1,3-benzoxazol-2-yl)silane;(5-ethylthiophen-3-yl)-dimethyl-(6-propan-2-yl-1,3-benzoxazol-2-yl)silane;furan-3-yl-dimethyl-(6-methyl-1,3-benzothiazol-2-yl)silane;methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane;methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylthiophen-3-yl)-phenylsilane
CID 160103034
1,3-Benzothiazol-2-yl-dimethyl-naphthalen-1-ylsilane;1,3-benzothiazol-2-yl-dimethyl-phenylsilane;[3,4-bis(trifluoromethyl)phenyl]-dimethyl-(6-phenyl-1,3-benzoxazol-2-yl)silane;dimethyl-naphthalen-2-yl-(6-phenyl-1,3-benzoxazol-2-yl)silane;dimethyl-naphthalen-1-yl-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-naphthalen-2-yl-(6-trimethylsilyl-1,3-benzothiazol-2-yl)silane;dimethyl-(6-phenyl-1,3-benzothiazol-2-yl)-(4-phenylphenyl)silane
CID 160326364

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole (CID 158300514) is 5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole is CC(C)(C)c1ccc2c(c1)CC(c1cc3sc(C4=Nc5ccc(C(C)(C)C)cc5C4)cc3s1)=N2.Cc1cc(C)c2oc(-c3cc4sc(-c5nc6cc(C)cc(C)c6s5)cc4s3)nc2c1.Cc1cc2nc(-c3sc4c(-c5ccccc5)c(-c5nc6cc(C)c(C)cc6o5)sc4c3-c3ccccc3)oc2cc1C.Cc1cc2nc(-c3sc4c(C(C)(C)C)c(-c5nc6cc(C)c(C)cc6s5)sc4c3C(C)(C)C)oc2cc1C.Cc1ccc2nc(-c3sc4c(C)c(-c5nc6ccc(C)cc6s5)sc4c3C)oc2c1.Cc1ccc2oc(-c3sc4c(C)c(-c5nc6cc(C)ccc6s5)sc4c3C)nc2c1.FC(F)(F)c1ccc2nc(-c3sc4c(-c5ccccc5)c(-c5nc6ccc(C(F)(F)F)cc6s5)sc4c3-c3ccccc3)sc2c1.c1ccc(-c2cc3nc(-c4cc5sc(-c6nc7cc(-c8ccccc8)c(-c8ccccc8)cc7s6)cc5s4)oc3cc2-c2ccccc2)cc1.
What is the InChIKey of 5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is GMLFAKCYPLIYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2OS3.C36H26N2O2S2.C34H16F6N2S4.C32H34N2OS3.C30H30N2S2.3C24H18N2OS3/c1-5-13-27(14-6-1)31-21-35-37(23-33(31)29-17-9-3-10-18-29)47-43(45-35)41-25-39-40(48-41)26-42(49-39)44-46-36-22-32(28-15-7-2-8-16-28)34(24-38(36)50-44)30-19-11-4-12-20-30;1-19-15-25-27(17-21(19)3)39-35(37-25)33-29(23-11-7-5-8-12-23)31-32(41-33)30(24-13-9-6-10-14-24)34(42-31)36-38-26-16-20(2)22(4)18-28(26)40-36;35-33(36,37)19-11-13-21-23(15-19)43-31(41-21)29-25(17-7-3-1-4-8-17)27-28(46-29)26(18-9-5-2-6-10-18)30(45-27)32-42-22-14-12-20(34(38,39)40)16-24(22)44-32;1-15-11-19-21(13-17(15)3)35-29(33-19)27-23(31(5,6)7)25-26(37-27)24(32(8,9)10)28(38-25)30-34-20-12-16(2)18(4)14-22(20)36-30;1-29(2,3)19-7-9-21-17(11-19)13-23(31-21)25-15-27-28(33-25)16-26(34-27)24-14-18-12-20(30(4,5)6)8-10-22(18)32-24;1-11-5-13(3)21-15(7-11)25-23(27-21)19-9-17-18(28-19)10-20(29-17)24-26-16-8-12(2)6-14(4)22(16)30-24;1-11-5-7-17-15(9-11)25-23(27-17)21-13(3)19-20(29-21)14(4)22(30-19)24-26-16-10-12(2)6-8-18(16)28-24;1-11-5-7-15-17(9-11)27-23(25-15)21-13(3)19-20(29-21)14(4)22(30-19)24-26-16-8-6-12(2)10-18(16)28-24/h1-26H;5-18H,1-4H3;1-16H;11-14H,1-10H3;7-12,15-16H,13-14H2,1-6H3;3*5-10H,1-4H3.
What are the key properties of 5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole?
5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 4353.85 g/mol, XLogP of 82.38, 24 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 158300514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).