2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole

C266H182F18N16O10S6 — CID 162096067

IUPAC2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole
SMILESCc1c(-c2nc3ccc(C(F)(F)F)cc3o2)ccc2c(C)c(-c3nc4ccc(C(F)(F)F)cc4s3)ccc12.Cc1c2ccc(-c3nc4ccc(C(F)(F)F)cc4s3)cc2c(C)c2ccc(-c3nc4ccc(C(F)(F)F)cc4s3)cc12.Cc1cc(-c2nc3ccc(C(F)(F)F)cc3o2)cc2c(C)cc(-c3nc4ccc(C(F)(F)F)cc4o3)cc12.Cc1cc(C)c2oc(-c3ccc4c(C)c(-c5nc6cc(C)cc(C)c6o5)ccc4c3C)nc2c1.Cc1cc2nc(-c3ccc4c(C)c(-c5nc6cc(C)c(C)cc6o5)ccc4c3C)oc2cc1C.Cc1cc2nc(-c3ccc4cc5c(C)c(-c6nc7cc(C)c(C)cc7s6)ccc5cc4c3C)sc2cc1C.c1ccc(-c2cc(-c3ccccc3)c3oc(-c4ccc5cc(-c6nc7cc(-c8ccccc8)cc(-c8ccccc8)c7o6)ccc5c4)nc3c2)cc1.c1ccc(-c2ccc3nc(-c4ccc5cc(-c6nc7ccc(-c8ccccc8)cc7s6)ccc5c4)oc3c2)cc1
InChIInChI=1S/C48H30N2O2.C36H22N2OS.C34H28N2S2.C32H18F6N2S2.2C30H26N2O2.C28H16F6N2O2.C28H16F6N2OS/c1-5-13-31(14-6-1)39-27-41(33-17-9-3-10-18-33)45-43(29-39)49-47(51-45)37-23-21-36-26-38(24-22-35(36)25-37)48-50-44-30-40(32-15-7-2-8-16-32)28-42(46(44)52-48)34-19-11-4-12-20-34;1-3-7-23(8-4-1)27-15-17-31-33(21-27)39-35(37-31)29-13-11-26-20-30(14-12-25(26)19-29)36-38-32-18-16-28(22-34(32)40-36)24-9-5-2-6-10-24;1-17-11-29-31(13-19(17)3)37-33(35-29)25-9-7-23-16-28-22(6)26(10-8-24(28)15-27(23)21(25)5)34-36-30-12-18(2)20(4)14-32(30)38-34;1-15-21-7-3-18(30-40-26-10-6-20(32(36,37)38)14-28(26)42-30)12-24(21)16(2)22-8-4-17(11-23(15)22)29-39-25-9-5-19(31(33,34)35)13-27(25)41-29;1-15-11-25-27(13-17(15)3)33-29(31-25)23-9-7-22-20(6)24(10-8-21(22)19(23)5)30-32-26-12-16(2)18(4)14-28(26)34-30;1-15-11-17(3)27-25(13-15)31-29(33-27)23-9-7-22-20(6)24(10-8-21(22)19(23)5)30-32-26-14-16(2)12-18(4)28(26)34-30;1-13-7-15(25-35-21-5-3-17(27(29,30)31)11-23(21)37-25)10-20-14(2)8-16(9-19(13)20)26-36-22-6-4-18(28(32,33)34)12-24(22)38-26;1-13-17-6-8-20(26-36-22-10-4-16(28(32,33)34)12-24(22)38-26)14(2)18(17)5-7-19(13)25-35-21-9-3-15(27(29,30)31)11-23(21)37-25/h1-30H;1-22H;7-16H,1-6H3;3-14H,1-2H3;2*7-14H,1-6H3;2*3-12H,1-2H3
InChIKeyZEGJXKHVNFCRMD-UHFFFAOYSA-N
MW4296.85 g/mol
LogP80.28
Rot. Bonds22

About 2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole

2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole (PubChem CID 162096067) has the molecular formula C266H182F18N16O10S6 and a molecular weight of 4296.85 g/mol. Its IUPAC name is 2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole
PubChem CID162096067
Molecular FormulaC266H182F18N16O10S6
Molecular Weight4296.85 g/mol
Exact Mass4293.23
IUPAC Name2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole
SMILESCc1c(-c2nc3ccc(C(F)(F)F)cc3o2)ccc2c(C)c(-c3nc4ccc(C(F)(F)F)cc4s3)ccc12.Cc1c2ccc(-c3nc4ccc(C(F)(F)F)cc4s3)cc2c(C)c2ccc(-c3nc4ccc(C(F)(F)F)cc4s3)cc12.Cc1cc(-c2nc3ccc(C(F)(F)F)cc3o2)cc2c(C)cc(-c3nc4ccc(C(F)(F)F)cc4o3)cc12.Cc1cc(C)c2oc(-c3ccc4c(C)c(-c5nc6cc(C)cc(C)c6o5)ccc4c3C)nc2c1.Cc1cc2nc(-c3ccc4c(C)c(-c5nc6cc(C)c(C)cc6o5)ccc4c3C)oc2cc1C.Cc1cc2nc(-c3ccc4cc5c(C)c(-c6nc7cc(C)c(C)cc7s6)ccc5cc4c3C)sc2cc1C.c1ccc(-c2cc(-c3ccccc3)c3oc(-c4ccc5cc(-c6nc7cc(-c8ccccc8)cc(-c8ccccc8)c7o6)ccc5c4)nc3c2)cc1.c1ccc(-c2ccc3nc(-c4ccc5cc(-c6nc7ccc(-c8ccccc8)cc7s6)ccc5c4)oc3c2)cc1
InChIInChI=1S/C48H30N2O2.C36H22N2OS.C34H28N2S2.C32H18F6N2S2.2C30H26N2O2.C28H16F6N2O2.C28H16F6N2OS/c1-5-13-31(14-6-1)39-27-41(33-17-9-3-10-18-33)45-43(29-39)49-47(51-45)37-23-21-36-26-38(24-22-35(36)25-37)48-50-44-30-40(32-15-7-2-8-16-32)28-42(46(44)52-48)34-19-11-4-12-20-34;1-3-7-23(8-4-1)27-15-17-31-33(21-27)39-35(37-31)29-13-11-26-20-30(14-12-25(26)19-29)36-38-32-18-16-28(22-34(32)40-36)24-9-5-2-6-10-24;1-17-11-29-31(13-19(17)3)37-33(35-29)25-9-7-23-16-28-22(6)26(10-8-24(28)15-27(23)21(25)5)34-36-30-12-18(2)20(4)14-32(30)38-34;1-15-21-7-3-18(30-40-26-10-6-20(32(36,37)38)14-28(26)42-30)12-24(21)16(2)22-8-4-17(11-23(15)22)29-39-25-9-5-19(31(33,34)35)13-27(25)41-29;1-15-11-25-27(13-17(15)3)33-29(31-25)23-9-7-22-20(6)24(10-8-21(22)19(23)5)30-32-26-12-16(2)18(4)14-28(26)34-30;1-15-11-17(3)27-25(13-15)31-29(33-27)23-9-7-22-20(6)24(10-8-21(22)19(23)5)30-32-26-14-16(2)12-18(4)28(26)34-30;1-13-7-15(25-35-21-5-3-17(27(29,30)31)11-23(21)37-25)10-20-14(2)8-16(9-19(13)20)26-36-22-6-4-18(28(32,33)34)12-24(22)38-26;1-13-17-6-8-20(26-36-22-10-4-16(28(32,33)34)12-24(22)38-26)14(2)18(17)5-7-19(13)25-35-21-9-3-15(27(29,30)31)11-23(21)37-25/h1-30H;1-22H;7-16H,1-6H3;3-14H,1-2H3;2*7-14H,1-6H3;2*3-12H,1-2H3
InChIKeyZEGJXKHVNFCRMD-UHFFFAOYSA-N
XLogP80.28
TPSA337.64 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds22
Heavy Atoms316
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004296.85
LogP ≤ 580.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole 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
2-[1,5-Dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole
CID 58028267
7-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]-20-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-8,19-dioxa-6,21-diazahexacyclo[15.7.0.02,10.05,9.011,16.018,22]tetracosa-1(17),2(10),3,5(9),6,11,13,15,18(22),20,23-undecaene
CID 89973729
18-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]-6-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-5,19-dioxa-7,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),17,21,23-undecaene
CID 89973731
4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]-15-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-3,16-dioxa-5,14-diazahexacyclo[9.9.2.02,6.08,21.013,17.018,22]docosa-1(21),2(6),4,7,9,11,13(17),14,18(22),19-decaene
CID 89973734
7-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]-19-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-8,18-dioxa-6,20-diazahexacyclo[11.11.0.02,10.05,9.016,24.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14,16(24),17(21),19,22-undecaene
CID 89973742
7-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]-17-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6,18-dioxa-8,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3,5(9),7,10,12,14,16,19-nonaene
CID 89973752
7-[3-[4-[2-[4-[6-(2-Tert-butyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,3-dimethylbutan-2-yl]-17-[4-[2-(4-tert-butylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-6,18-dioxa-8,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3,5(9),7,10,12,14,16,19-nonaene
CID 123513280
3,3-difluoro-6-methyl-1,2-dihydroindene;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzoxathiole;2,6-dimethyl-1,3-benzoxazole;2-fluoro-2,6-dimethyl-3H-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxathiole;6-methyl-1,3-benzoxazole;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;6-methyl-2,3-dihydro-1-benzofuran;tris(5-methyl-2,3-dihydro-1H-indene);3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene;6-methyl-1H-indene;5-methyl-3H-indole;2-methylnaphthalene;3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;6-methyl-1,2,3,4-tetrahydronaphthalene;2,3,6-trimethyl-1H-indene
CID 157127380
Benzo[g][1,3]benzoxazole;6-fluoro-1,3-benzoxazole;2-(methoxymethyl)-1,3-benzoxazole;2-(4-methoxyphenyl)-1,3-benzoxazole;6-methyl-1,3-benzoxazole;2-methyl-6-phenyl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-propan-2-yl-1,3-benzoxazole;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole;2,5,6-trimethyl-1,3-benzoxazole
CID 157837042
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole (CID 162096067) is 2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole is Cc1c(-c2nc3ccc(C(F)(F)F)cc3o2)ccc2c(C)c(-c3nc4ccc(C(F)(F)F)cc4s3)ccc12.Cc1c2ccc(-c3nc4ccc(C(F)(F)F)cc4s3)cc2c(C)c2ccc(-c3nc4ccc(C(F)(F)F)cc4s3)cc12.Cc1cc(-c2nc3ccc(C(F)(F)F)cc3o2)cc2c(C)cc(-c3nc4ccc(C(F)(F)F)cc4o3)cc12.Cc1cc(C)c2oc(-c3ccc4c(C)c(-c5nc6cc(C)cc(C)c6o5)ccc4c3C)nc2c1.Cc1cc2nc(-c3ccc4c(C)c(-c5nc6cc(C)c(C)cc6o5)ccc4c3C)oc2cc1C.Cc1cc2nc(-c3ccc4cc5c(C)c(-c6nc7cc(C)c(C)cc7s6)ccc5cc4c3C)sc2cc1C.c1ccc(-c2cc(-c3ccccc3)c3oc(-c4ccc5cc(-c6nc7cc(-c8ccccc8)cc(-c8ccccc8)c7o6)ccc5c4)nc3c2)cc1.c1ccc(-c2ccc3nc(-c4ccc5cc(-c6nc7ccc(-c8ccccc8)cc7s6)ccc5c4)oc3c2)cc1.
What is the InChIKey of 2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole?
The InChIKey is ZEGJXKHVNFCRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O2.C36H22N2OS.C34H28N2S2.C32H18F6N2S2.2C30H26N2O2.C28H16F6N2O2.C28H16F6N2OS/c1-5-13-31(14-6-1)39-27-41(33-17-9-3-10-18-33)45-43(29-39)49-47(51-45)37-23-21-36-26-38(24-22-35(36)25-37)48-50-44-30-40(32-15-7-2-8-16-32)28-42(46(44)52-48)34-19-11-4-12-20-34;1-3-7-23(8-4-1)27-15-17-31-33(21-27)39-35(37-31)29-13-11-26-20-30(14-12-25(26)19-29)36-38-32-18-16-28(22-34(32)40-36)24-9-5-2-6-10-24;1-17-11-29-31(13-19(17)3)37-33(35-29)25-9-7-23-16-28-22(6)26(10-8-24(28)15-27(23)21(25)5)34-36-30-12-18(2)20(4)14-32(30)38-34;1-15-21-7-3-18(30-40-26-10-6-20(32(36,37)38)14-28(26)42-30)12-24(21)16(2)22-8-4-17(11-23(15)22)29-39-25-9-5-19(31(33,34)35)13-27(25)41-29;1-15-11-25-27(13-17(15)3)33-29(31-25)23-9-7-22-20(6)24(10-8-21(22)19(23)5)30-32-26-12-16(2)18(4)14-28(26)34-30;1-15-11-17(3)27-25(13-15)31-29(33-27)23-9-7-22-20(6)24(10-8-21(22)19(23)5)30-32-26-14-16(2)12-18(4)28(26)34-30;1-13-7-15(25-35-21-5-3-17(27(29,30)31)11-23(21)37-25)10-20-14(2)8-16(9-19(13)20)26-36-22-6-4-18(28(32,33)34)12-24(22)38-26;1-13-17-6-8-20(26-36-22-10-4-16(28(32,33)34)12-24(22)38-26)14(2)18(17)5-7-19(13)25-35-21-9-3-15(27(29,30)31)11-23(21)37-25/h1-30H;1-22H;7-16H,1-6H3;3-14H,1-2H3;2*7-14H,1-6H3;2*3-12H,1-2H3.
What are the key properties of 2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole?
2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole has a molecular weight of 4296.85 g/mol, XLogP of 80.28, 22 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 162096067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).