2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole

C426H254N16O9S16 — CID 165056436

IUPAC2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole
SMILESCC1(C)c2cc(-c3cc(-c4nc5ccccc5s4)cc(-c4nc5ccccc5s4)c3)ccc2-c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)cc21.CC1(C)c2ccc(-c3cc(-c4nc5ccccc5s4)cc(-c4nc5ccccc5s4)c3)cc2-c2cc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)ccc21.[2H]c1c([2H])c(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c([2H])c([2H])c1-c1cc(-c2nc3ccccc3s2)cc(-c2nc3ccccc3s2)c1.[2H]c1c([2H])c([2H])c2sc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc(-c4nc5c([2H])c([2H])c([2H])c([2H])c5s4)c3)nc2c1[2H].c1cc(-c2cc(-c3nc4ccccc4o3)cc(-c3nc4ccccc4s3)c2)cc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c1.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6s5)cc4)cc(-c4ccc(-c5nc6ccccc6s5)cc4)c3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3cc(-c4nc5ccccc5s4)cc(-c4nc5ccccc5s4)c3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c(c3)sc3cc(-c5cc(-c6nc7ccccc7s6)cc(-c6nc7ccccc7s6)c5)ccc34)cc21
InChIInChI=1S/2C60H38N2OS2.C57H32N2OS3.C57H34N2OS2.C51H30N2O2S.C51H30N2OS2.2C45H26N2OS2/c1-59(2)49-33-36(35-25-28-46-44(32-35)41-13-3-4-14-45(41)60(46)47-15-5-9-19-53(47)63-54-20-10-6-16-48(54)60)23-26-42(49)43-27-24-37(34-50(43)59)38-29-39(57-61-51-17-7-11-21-55(51)64-57)31-40(30-38)58-62-52-18-8-12-22-56(52)65-58;1-59(2)45-26-23-35(36-25-28-48-42(32-36)41-13-3-4-14-47(41)60(48)49-15-5-9-19-53(49)63-54-20-10-6-16-50(54)60)33-43(45)44-34-37(24-27-46(44)59)38-29-39(57-61-51-17-7-11-21-55(51)64-57)31-40(30-38)58-62-52-18-8-12-22-56(52)65-58;1-2-12-43-39(11-1)40-24-21-33(30-46(40)57(43)44-13-3-7-17-49(44)60-50-18-8-4-14-45(50)57)34-22-25-41-42-26-23-35(32-54(42)61-53(41)31-34)36-27-37(55-58-47-15-5-9-19-51(47)62-55)29-38(28-36)56-59-48-16-6-10-20-52(48)63-56;1-2-12-45-43(11-1)44-30-29-39(34-48(44)57(45)46-13-3-7-17-51(46)60-52-18-8-4-14-47(52)57)42-32-40(35-21-25-37(26-22-35)55-58-49-15-5-9-19-53(49)61-55)31-41(33-42)36-23-27-38(28-24-36)56-59-50-16-6-10-20-54(50)62-56;1-2-15-39-37(14-1)38-25-24-33(30-42(38)51(39)40-16-3-7-20-45(40)54-46-21-8-4-17-41(46)51)31-12-11-13-32(26-31)34-27-35(49-52-43-18-5-9-22-47(43)55-49)29-36(28-34)50-53-44-19-6-10-23-48(44)56-50;1-2-12-39-37(11-1)38-26-25-33(30-42(38)51(39)40-13-3-7-17-45(40)54-46-18-8-4-14-41(46)51)31-21-23-32(24-22-31)34-27-35(49-52-43-15-5-9-19-47(43)55-49)29-36(28-34)50-53-44-16-6-10-20-48(44)56-50;2*1-2-12-33-31(11-1)32-22-21-27(26-36(32)45(33)34-13-3-7-17-39(34)48-40-18-8-4-14-35(40)45)28-23-29(43-46-37-15-5-9-19-41(37)49-43)25-30(24-28)44-47-38-16-6-10-20-42(38)50-44/h2*3-34H,1-2H3;1-32H;1-34H;2*1-30H;2*1-26H/i;;;;;21D,22D,23D,24D;5D,6D,9D,10D,15D,16D,19D,20D;
InChIKeyQMTMAHLHEFZUCA-UJPSGRQDSA-N
MW6265.97 g/mol
LogP117.19
Rot. Bonds31

About 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole

2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole (PubChem CID 165056436) has the molecular formula C426H254N16O9S16 and a molecular weight of 6265.97 g/mol. Its IUPAC name is 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole
PubChem CID165056436
Molecular FormulaC426H254N16O9S16
Molecular Weight6265.97 g/mol
Exact Mass6259.62
IUPAC Name2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole
SMILESCC1(C)c2cc(-c3cc(-c4nc5ccccc5s4)cc(-c4nc5ccccc5s4)c3)ccc2-c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)cc21.CC1(C)c2ccc(-c3cc(-c4nc5ccccc5s4)cc(-c4nc5ccccc5s4)c3)cc2-c2cc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)ccc21.[2H]c1c([2H])c(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c([2H])c([2H])c1-c1cc(-c2nc3ccccc3s2)cc(-c2nc3ccccc3s2)c1.[2H]c1c([2H])c([2H])c2sc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc(-c4nc5c([2H])c([2H])c([2H])c([2H])c5s4)c3)nc2c1[2H].c1cc(-c2cc(-c3nc4ccccc4o3)cc(-c3nc4ccccc4s3)c2)cc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c1.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6s5)cc4)cc(-c4ccc(-c5nc6ccccc6s5)cc4)c3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3cc(-c4nc5ccccc5s4)cc(-c4nc5ccccc5s4)c3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c(c3)sc3cc(-c5cc(-c6nc7ccccc7s6)cc(-c6nc7ccccc7s6)c5)ccc34)cc21
InChIInChI=1S/2C60H38N2OS2.C57H32N2OS3.C57H34N2OS2.C51H30N2O2S.C51H30N2OS2.2C45H26N2OS2/c1-59(2)49-33-36(35-25-28-46-44(32-35)41-13-3-4-14-45(41)60(46)47-15-5-9-19-53(47)63-54-20-10-6-16-48(54)60)23-26-42(49)43-27-24-37(34-50(43)59)38-29-39(57-61-51-17-7-11-21-55(51)64-57)31-40(30-38)58-62-52-18-8-12-22-56(52)65-58;1-59(2)45-26-23-35(36-25-28-48-42(32-36)41-13-3-4-14-47(41)60(48)49-15-5-9-19-53(49)63-54-20-10-6-16-50(54)60)33-43(45)44-34-37(24-27-46(44)59)38-29-39(57-61-51-17-7-11-21-55(51)64-57)31-40(30-38)58-62-52-18-8-12-22-56(52)65-58;1-2-12-43-39(11-1)40-24-21-33(30-46(40)57(43)44-13-3-7-17-49(44)60-50-18-8-4-14-45(50)57)34-22-25-41-42-26-23-35(32-54(42)61-53(41)31-34)36-27-37(55-58-47-15-5-9-19-51(47)62-55)29-38(28-36)56-59-48-16-6-10-20-52(48)63-56;1-2-12-45-43(11-1)44-30-29-39(34-48(44)57(45)46-13-3-7-17-51(46)60-52-18-8-4-14-47(52)57)42-32-40(35-21-25-37(26-22-35)55-58-49-15-5-9-19-53(49)61-55)31-41(33-42)36-23-27-38(28-24-36)56-59-50-16-6-10-20-54(50)62-56;1-2-15-39-37(14-1)38-25-24-33(30-42(38)51(39)40-16-3-7-20-45(40)54-46-21-8-4-17-41(46)51)31-12-11-13-32(26-31)34-27-35(49-52-43-18-5-9-22-47(43)55-49)29-36(28-34)50-53-44-19-6-10-23-48(44)56-50;1-2-12-39-37(11-1)38-26-25-33(30-42(38)51(39)40-13-3-7-17-45(40)54-46-18-8-4-14-41(46)51)31-21-23-32(24-22-31)34-27-35(49-52-43-15-5-9-19-47(43)55-49)29-36(28-34)50-53-44-16-6-10-20-48(44)56-50;2*1-2-12-33-31(11-1)32-22-21-27(26-36(32)45(33)34-13-3-7-17-39(34)48-40-18-8-4-14-35(40)45)28-23-29(43-46-37-15-5-9-19-41(37)49-43)25-30(24-28)44-47-38-16-6-10-20-42(38)50-44/h2*3-34H,1-2H3;1-32H;1-34H;2*1-30H;2*1-26H/i;;;;;21D,22D,23D,24D;5D,6D,9D,10D,15D,16D,19D,20D;
InChIKeyQMTMAHLHEFZUCA-UJPSGRQDSA-N
XLogP117.19
TPSA293.22 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds31
Heavy Atoms467
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006265.97
LogP ≤ 5117.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole with MolForge

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Related Compounds

2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole
CID 164783951
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)phenyl]phenyl]-1,3-benzoxazole
CID 164783955
2-[3-(1,3-benzoxazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-3-yl)phenyl]-1,3-benzoxazole
CID 164783824
2-[3-(1,3-benzoxazol-2-yl)-5-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 164803799
2-[3-(1,3-benzoxazol-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1,3-benzoxazole
CID 164803998
2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzoxazole
CID 164783476
2-[3-(1,3-benzoxazol-2-yl)-5-[2,3,5,6-tetradeuterio-4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164803886
2-[3-(1,3-benzoxazol-2-yl)-5-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)phenyl]-1,3-benzoxazole
CID 164783727
4,5,6,7-tetradeuterio-2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-(4,5,6,7-tetradeuterio-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 164803847
2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(4-spiro[4a,9a-dihydrothioxanthene-9,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[4-(10-phenylspiro[4a,9a-dihydroacridine-9,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164975912
2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6,7-bis(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6,7-bis(3-phenylphenyl)quinoxalin-2-yl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6,7-bis(9,9'-spirobi[fluorene]-2-yl)quinoxalin-2-yl]phenyl]phenyl]-1,3-benzoxazole
CID 158826530
2-[3-(1,3-benzothiazol-2-yl)-5-[4-dibenzofuran-1-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 176740280

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole (CID 165056436) is 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole is CC1(C)c2cc(-c3cc(-c4nc5ccccc5s4)cc(-c4nc5ccccc5s4)c3)ccc2-c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)cc21.CC1(C)c2ccc(-c3cc(-c4nc5ccccc5s4)cc(-c4nc5ccccc5s4)c3)cc2-c2cc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)ccc21.[2H]c1c([2H])c(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c([2H])c([2H])c1-c1cc(-c2nc3ccccc3s2)cc(-c2nc3ccccc3s2)c1.[2H]c1c([2H])c([2H])c2sc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc(-c4nc5c([2H])c([2H])c([2H])c([2H])c5s4)c3)nc2c1[2H].c1cc(-c2cc(-c3nc4ccccc4o3)cc(-c3nc4ccccc4s3)c2)cc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c1.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6s5)cc4)cc(-c4ccc(-c5nc6ccccc6s5)cc4)c3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3cc(-c4nc5ccccc5s4)cc(-c4nc5ccccc5s4)c3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c(c3)sc3cc(-c5cc(-c6nc7ccccc7s6)cc(-c6nc7ccccc7s6)c5)ccc34)cc21.
What is the InChIKey of 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole?
The InChIKey is QMTMAHLHEFZUCA-UJPSGRQDSA-N. The full InChI is InChI=1S/2C60H38N2OS2.C57H32N2OS3.C57H34N2OS2.C51H30N2O2S.C51H30N2OS2.2C45H26N2OS2/c1-59(2)49-33-36(35-25-28-46-44(32-35)41-13-3-4-14-45(41)60(46)47-15-5-9-19-53(47)63-54-20-10-6-16-48(54)60)23-26-42(49)43-27-24-37(34-50(43)59)38-29-39(57-61-51-17-7-11-21-55(51)64-57)31-40(30-38)58-62-52-18-8-12-22-56(52)65-58;1-59(2)45-26-23-35(36-25-28-48-42(32-36)41-13-3-4-14-47(41)60(48)49-15-5-9-19-53(49)63-54-20-10-6-16-50(54)60)33-43(45)44-34-37(24-27-46(44)59)38-29-39(57-61-51-17-7-11-21-55(51)64-57)31-40(30-38)58-62-52-18-8-12-22-56(52)65-58;1-2-12-43-39(11-1)40-24-21-33(30-46(40)57(43)44-13-3-7-17-49(44)60-50-18-8-4-14-45(50)57)34-22-25-41-42-26-23-35(32-54(42)61-53(41)31-34)36-27-37(55-58-47-15-5-9-19-51(47)62-55)29-38(28-36)56-59-48-16-6-10-20-52(48)63-56;1-2-12-45-43(11-1)44-30-29-39(34-48(44)57(45)46-13-3-7-17-51(46)60-52-18-8-4-14-47(52)57)42-32-40(35-21-25-37(26-22-35)55-58-49-15-5-9-19-53(49)61-55)31-41(33-42)36-23-27-38(28-24-36)56-59-50-16-6-10-20-54(50)62-56;1-2-15-39-37(14-1)38-25-24-33(30-42(38)51(39)40-16-3-7-20-45(40)54-46-21-8-4-17-41(46)51)31-12-11-13-32(26-31)34-27-35(49-52-43-18-5-9-22-47(43)55-49)29-36(28-34)50-53-44-19-6-10-23-48(44)56-50;1-2-12-39-37(11-1)38-26-25-33(30-42(38)51(39)40-13-3-7-17-45(40)54-46-18-8-4-14-41(46)51)31-21-23-32(24-22-31)34-27-35(49-52-43-15-5-9-19-47(43)55-49)29-36(28-34)50-53-44-16-6-10-20-48(44)56-50;2*1-2-12-33-31(11-1)32-22-21-27(26-36(32)45(33)34-13-3-7-17-39(34)48-40-18-8-4-14-35(40)45)28-23-29(43-46-37-15-5-9-19-41(37)49-43)25-30(24-28)44-47-38-16-6-10-20-42(38)50-44/h2*3-34H,1-2H3;1-32H;1-34H;2*1-30H;2*1-26H/i;;;;;21D,22D,23D,24D;5D,6D,9D,10D,15D,16D,19D,20D;.
What are the key properties of 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole?
2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole has a molecular weight of 6265.97 g/mol, XLogP of 117.19, 31 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-6-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethyl-7-spiro[fluorene-9,9'-xanthene]-3-ylfluoren-2-yl)phenyl]-1,3-benzothiazole;2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzothiophen-3-yl)phenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-spiro[fluorene-9,9'-xanthene]-2-ylphenyl]-1,3-benzothiazole;2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetradeuterio-4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzothiazole;4,5,6,7-tetradeuterio-2-[3-spiro[fluorene-9,9'-xanthene]-2-yl-5-(4,5,6,7-tetradeuterio-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 165056436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).