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

C224H162F12N14O16S12 — CID 159239133

IUPAC2-[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
SMILESCC(C)c1c(-c2nc3ccc(C(F)(F)F)cc3o2)sc2c(C(C)C)c(-c3nc4ccc(C(F)(F)F)cc4o3)sc12.Cc1c(-c2nc3cc(-c4ccccc4)c(-c4ccccc4)cc3o2)oc2c(C)c(-c3nc4cc(-c5ccccc5)c(-c5ccccc5)cc4s3)oc12.Cc1cc(-c2ccccc2)cc2sc(-c3cc4oc(-c5nc6c(C)cc(-c7ccccc7)cc6s5)cc4o3)nc12.Cc1cc2nc(-c3oc4c(C(C)(C)C)c(-c5nc6cc(C)c(C)cc6s5)oc4c3C(C)(C)C)sc2cc1C.Cc1cc2nc(-c3oc4c(C)c(-c5nc6cc(C)c(C)cc6s5)oc4c3C)sc2cc1C.Cc1ccc2nc(-c3oc4c(C)c(-c5nc6ccc(C)cc6s5)oc4c3C)oc2c1.FC(F)(F)c1ccc2nc(-c3oc4c(-c5ccccc5)c(-c5nc6ccc(C(F)(F)F)cc6s5)oc4c3-c3ccccc3)sc2c1
InChIInChI=1S/C46H30N2O3S.C34H16F6N2O2S2.C34H22N2O2S2.C32H34N2O2S2.C28H20F6N2O2S2.C26H22N2O2S2.C24H18N2O3S/c1-27-41-42(50-43(27)45-47-37-23-33(29-15-7-3-8-16-29)35(25-39(37)49-45)31-19-11-5-12-20-31)28(2)44(51-41)46-48-38-24-34(30-17-9-4-10-18-30)36(26-40(38)52-46)32-21-13-6-14-22-32;35-33(36,37)19-11-13-21-23(15-19)45-31(41-21)29-25(17-7-3-1-4-8-17)27-28(44-29)26(18-9-5-2-6-10-18)30(43-27)32-42-22-14-12-20(34(38,39)40)16-24(22)46-32;1-19-13-23(21-9-5-3-6-10-21)15-29-31(19)35-33(39-29)27-17-25-26(37-27)18-28(38-25)34-36-32-20(2)14-24(16-30(32)40-34)22-11-7-4-8-12-22;1-15-11-19-21(13-17(15)3)37-29(33-19)27-23(31(5,6)7)25-26(35-27)24(32(8,9)10)28(36-25)30-34-20-12-16(2)18(4)14-22(20)38-30;1-11(2)19-21-22(40-23(19)25-35-15-7-5-13(27(29,30)31)9-17(15)37-25)20(12(3)4)24(39-21)26-36-16-8-6-14(28(32,33)34)10-18(16)38-26;1-11-7-17-19(9-13(11)3)31-25(27-17)23-15(5)21-22(29-23)16(6)24(30-21)26-28-18-8-12(2)14(4)10-20(18)32-26;1-11-5-7-15-17(9-11)27-23(25-15)21-13(3)19-20(28-21)14(4)22(29-19)24-26-16-8-6-12(2)10-18(16)30-24/h3-26H,1-2H3;1-16H;3-18H,1-2H3;11-14H,1-10H3;5-12H,1-4H3;7-10H,1-6H3;5-10H,1-4H3
InChIKeyKTVSFTYMNAGYPT-UHFFFAOYSA-N
MW3918.62 g/mol
LogP72.92
Rot. Bonds24

About 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

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 (PubChem CID 159239133) has the molecular formula C224H162F12N14O16S12 and a molecular weight of 3918.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159239133
Molecular FormulaC224H162F12N14O16S12
Molecular Weight3918.62 g/mol
Exact Mass3914.88
IUPAC Name2-[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
SMILESCC(C)c1c(-c2nc3ccc(C(F)(F)F)cc3o2)sc2c(C(C)C)c(-c3nc4ccc(C(F)(F)F)cc4o3)sc12.Cc1c(-c2nc3cc(-c4ccccc4)c(-c4ccccc4)cc3o2)oc2c(C)c(-c3nc4cc(-c5ccccc5)c(-c5ccccc5)cc4s3)oc12.Cc1cc(-c2ccccc2)cc2sc(-c3cc4oc(-c5nc6c(C)cc(-c7ccccc7)cc6s5)cc4o3)nc12.Cc1cc2nc(-c3oc4c(C(C)(C)C)c(-c5nc6cc(C)c(C)cc6s5)oc4c3C(C)(C)C)sc2cc1C.Cc1cc2nc(-c3oc4c(C)c(-c5nc6cc(C)c(C)cc6s5)oc4c3C)sc2cc1C.Cc1ccc2nc(-c3oc4c(C)c(-c5nc6ccc(C)cc6s5)oc4c3C)oc2c1.FC(F)(F)c1ccc2nc(-c3oc4c(-c5ccccc5)c(-c5nc6ccc(C(F)(F)F)cc6s5)oc4c3-c3ccccc3)sc2c1
InChIInChI=1S/C46H30N2O3S.C34H16F6N2O2S2.C34H22N2O2S2.C32H34N2O2S2.C28H20F6N2O2S2.C26H22N2O2S2.C24H18N2O3S/c1-27-41-42(50-43(27)45-47-37-23-33(29-15-7-3-8-16-29)35(25-39(37)49-45)31-19-11-5-12-20-31)28(2)44(51-41)46-48-38-24-34(30-17-9-4-10-18-30)36(26-40(38)52-46)32-21-13-6-14-22-32;35-33(36,37)19-11-13-21-23(15-19)45-31(41-21)29-25(17-7-3-1-4-8-17)27-28(44-29)26(18-9-5-2-6-10-18)30(43-27)32-42-22-14-12-20(34(38,39)40)16-24(22)46-32;1-19-13-23(21-9-5-3-6-10-21)15-29-31(19)35-33(39-29)27-17-25-26(37-27)18-28(38-25)34-36-32-20(2)14-24(16-30(32)40-34)22-11-7-4-8-12-22;1-15-11-19-21(13-17(15)3)37-29(33-19)27-23(31(5,6)7)25-26(35-27)24(32(8,9)10)28(36-25)30-34-20-12-16(2)18(4)14-22(20)38-30;1-11(2)19-21-22(40-23(19)25-35-15-7-5-13(27(29,30)31)9-17(15)37-25)20(12(3)4)24(39-21)26-36-16-8-6-14(28(32,33)34)10-18(16)38-26;1-11-7-17-19(9-13(11)3)31-25(27-17)23-15(5)21-22(29-23)16(6)24(30-21)26-28-18-8-12(2)14(4)10-20(18)32-26;1-11-5-7-15-17(9-11)27-23(25-15)21-13(3)19-20(28-21)14(4)22(29-19)24-26-16-8-6-12(2)10-18(16)30-24/h3-26H,1-2H3;1-16H;3-18H,1-2H3;11-14H,1-10H3;5-12H,1-4H3;7-10H,1-6H3;5-10H,1-4H3
InChIKeyKTVSFTYMNAGYPT-UHFFFAOYSA-N
XLogP72.92
TPSA390.70 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds24
Heavy Atoms278
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003918.62
LogP ≤ 572.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
6-Tert-butyl-2-[4-(6-tert-butyl-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;6-tert-butyl-2-[4-(6-tert-butyl-1,3-benzoxazol-2-yl)-2,5-diphenylphenyl]-1,3-benzoxazole;2-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dimethyl-1,3-benzoxazole;2-[2,5-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methyl-1,3-benzothiazole;2-[2,5-dimethyl-4-(6-phenyl-1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;6-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-benzoxazole;6-methyl-2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;6-phenyl-2-[4-(6-phenyl-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole
CID 160473332
7-Tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine
CID 160825470
2-[3,6-Dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole
CID 58028224
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
CID 58028238
2-[3,6-Ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole
CID 58028246
2,7-Bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-[1,3]benzothiazolo[5,4-e][1,3]benzothiazole;2,7-bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-[1,3]benzothiazolo[7,6-g][1,3]benzothiazole;2,7-bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-[1,3]benzoxazolo[5,4-e][1,3]benzoxazole;2,7-bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole;2,7-bis(5-undecylfuran-2-yl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole;2-(4-heptoxyphenyl)-7-(4-methylphenyl)-[1,3]benzoxazolo[5,4-e][1,3]benzoxazole;2-(4-hexoxyphenyl)-7-(4-methylphenyl)-[1,3]benzothiazolo[5,4-e][1,3]benzothiazole;2-(4-hexoxyphenyl)-7-(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole;7-(4-methylphenyl)-2-(4-octoxyphenyl)-[1,3]benzothiazolo[7,6-g][1,3]benzothiazole
CID 161605949

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1c(-c2nc3ccc(C(F)(F)F)cc3o2)sc2c(C(C)C)c(-c3nc4ccc(C(F)(F)F)cc4o3)sc12.Cc1c(-c2nc3cc(-c4ccccc4)c(-c4ccccc4)cc3o2)oc2c(C)c(-c3nc4cc(-c5ccccc5)c(-c5ccccc5)cc4s3)oc12.Cc1cc(-c2ccccc2)cc2sc(-c3cc4oc(-c5nc6c(C)cc(-c7ccccc7)cc6s5)cc4o3)nc12.Cc1cc2nc(-c3oc4c(C(C)(C)C)c(-c5nc6cc(C)c(C)cc6s5)oc4c3C(C)(C)C)sc2cc1C.Cc1cc2nc(-c3oc4c(C)c(-c5nc6cc(C)c(C)cc6s5)oc4c3C)sc2cc1C.Cc1ccc2nc(-c3oc4c(C)c(-c5nc6ccc(C)cc6s5)oc4c3C)oc2c1.FC(F)(F)c1ccc2nc(-c3oc4c(-c5ccccc5)c(-c5nc6ccc(C(F)(F)F)cc6s5)oc4c3-c3ccccc3)sc2c1.
What is the InChIKey of 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?
The InChIKey is KTVSFTYMNAGYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O3S.C34H16F6N2O2S2.C34H22N2O2S2.C32H34N2O2S2.C28H20F6N2O2S2.C26H22N2O2S2.C24H18N2O3S/c1-27-41-42(50-43(27)45-47-37-23-33(29-15-7-3-8-16-29)35(25-39(37)49-45)31-19-11-5-12-20-31)28(2)44(51-41)46-48-38-24-34(30-17-9-4-10-18-30)36(26-40(38)52-46)32-21-13-6-14-22-32;35-33(36,37)19-11-13-21-23(15-19)45-31(41-21)29-25(17-7-3-1-4-8-17)27-28(44-29)26(18-9-5-2-6-10-18)30(43-27)32-42-22-14-12-20(34(38,39)40)16-24(22)46-32;1-19-13-23(21-9-5-3-6-10-21)15-29-31(19)35-33(39-29)27-17-25-26(37-27)18-28(38-25)34-36-32-20(2)14-24(16-30(32)40-34)22-11-7-4-8-12-22;1-15-11-19-21(13-17(15)3)37-29(33-19)27-23(31(5,6)7)25-26(35-27)24(32(8,9)10)28(36-25)30-34-20-12-16(2)18(4)14-22(20)38-30;1-11(2)19-21-22(40-23(19)25-35-15-7-5-13(27(29,30)31)9-17(15)37-25)20(12(3)4)24(39-21)26-36-16-8-6-14(28(32,33)34)10-18(16)38-26;1-11-7-17-19(9-13(11)3)31-25(27-17)23-15(5)21-22(29-23)16(6)24(30-21)26-28-18-8-12(2)14(4)10-20(18)32-26;1-11-5-7-15-17(9-11)27-23(25-15)21-13(3)19-20(28-21)14(4)22(29-19)24-26-16-8-6-12(2)10-18(16)30-24/h3-26H,1-2H3;1-16H;3-18H,1-2H3;11-14H,1-10H3;5-12H,1-4H3;7-10H,1-6H3;5-10H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 3918.62 g/mol, XLogP of 72.92, 24 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159239133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).