2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole

C451H253F8N19O24 — CID 164951205

IUPAC2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2oc(-c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc4)cc(-c4nc5cc(C(F)(F)F)ccc5o4)c3)nc2c1.Fc1ccc2nc(-c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc4)cc(-c4nc5ccc(F)cc5o4)c3)oc2c1.N#Cc1ccc2oc(-c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc4)cc(-c4nc5cc(C#N)ccc5o4)c3)nc2c1.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5nc6c(ccc7ccccc76)o5)cc(-c5nc6c(ccc7ccccc76)o5)c4)cc3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5nc6c7ccccc7c7ccccc7c6o5)cc(-c5nc6c7ccccc7c7ccccc7c6o5)c4)cc3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5nc6cc7ccccc7cc6o5)cc(-c5nc6cc7ccccc7cc6o5)c4)cc3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5nc6ccc7ccccc7c6o5)cc(-c5nc6ccc7ccccc7c6o5)c4)cc3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccncc6o5)c4)cc3)cc21
InChIInChI=1S/C67H38N2O3.3C59H34N2O3.C53H28F6N2O3.C53H28N4O3.C51H28F2N2O3.C50H29N3O3/c1-5-20-51-45(15-1)47-17-3-7-22-53(47)63-61(51)68-65(71-63)43-35-42(36-44(37-43)66-69-62-52-21-6-2-16-46(52)48-18-4-8-23-54(48)64(62)72-66)40-31-29-39(30-32-40)41-33-34-50-49-19-9-10-24-55(49)67(58(50)38-41)56-25-11-13-27-59(56)70-60-28-14-12-26-57(60)67;1-3-13-43-37(11-1)26-29-51-55(43)63-57(60-51)41-31-40(32-42(33-41)58-61-52-30-27-38-12-2-4-14-44(38)56(52)64-58)36-23-21-35(22-24-36)39-25-28-46-45-15-5-6-16-47(45)59(50(46)34-39)48-17-7-9-19-53(48)62-54-20-10-8-18-49(54)59;1-3-13-43-37(11-1)26-29-53-55(43)60-57(63-53)41-31-40(32-42(33-41)58-61-56-44-14-4-2-12-38(44)27-30-54(56)64-58)36-23-21-35(22-24-36)39-25-28-46-45-15-5-6-16-47(45)59(50(46)34-39)48-17-7-9-19-51(48)62-52-20-10-8-18-49(52)59;1-3-13-39-33-55-51(31-37(39)11-1)60-57(63-55)43-27-42(28-44(29-43)58-61-52-32-38-12-2-4-14-40(38)34-56(52)64-58)36-23-21-35(22-24-36)41-25-26-46-45-15-5-6-16-47(45)59(50(46)30-41)48-17-7-9-19-53(48)62-54-20-10-8-18-49(54)59;54-52(55,56)35-18-21-47-43(27-35)60-49(63-47)33-23-32(24-34(25-33)50-61-44-28-36(53(57,58)59)19-22-48(44)64-50)30-15-13-29(14-16-30)31-17-20-38-37-7-1-2-8-39(37)51(42(38)26-31)40-9-3-5-11-45(40)62-46-12-6-4-10-41(46)51;54-29-31-13-21-49-45(23-31)56-51(59-49)37-25-36(26-38(27-37)52-57-46-24-32(30-55)14-22-50(46)60-52)34-17-15-33(16-18-34)35-19-20-40-39-7-1-2-8-41(39)53(44(40)28-35)42-9-3-5-11-47(42)58-48-12-6-4-10-43(48)53;52-35-18-21-43-47(27-35)57-49(54-43)33-23-32(24-34(25-33)50-55-44-22-19-36(53)28-48(44)58-50)30-15-13-29(14-16-30)31-17-20-38-37-7-1-2-8-39(37)51(42(38)26-31)40-9-3-5-11-45(40)56-46-12-6-4-10-41(46)51;1-2-10-38-36(9-1)37-22-21-32(28-41(37)50(38)39-11-3-6-14-44(39)54-45-15-7-4-12-40(45)50)30-17-19-31(20-18-30)33-25-34(48-52-42-13-5-8-16-46(42)55-48)27-35(26-33)49-53-43-23-24-51-29-47(43)56-49/h1-38H;3*1-34H;1-28H;1-28H;1-28H;1-29H
InChIKeyAOCUVRNBWWTGLT-UHFFFAOYSA-N
MW6474.08 g/mol
LogP117.83
Rot. Bonds32

About 2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole

2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 164951205) has the molecular formula C451H253F8N19O24 and a molecular weight of 6474.08 g/mol. Its IUPAC name is 2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole
PubChem CID164951205
Molecular FormulaC451H253F8N19O24
Molecular Weight6474.08 g/mol
Exact Mass6468.90
IUPAC Name2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2oc(-c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc4)cc(-c4nc5cc(C(F)(F)F)ccc5o4)c3)nc2c1.Fc1ccc2nc(-c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc4)cc(-c4nc5ccc(F)cc5o4)c3)oc2c1.N#Cc1ccc2oc(-c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc4)cc(-c4nc5cc(C#N)ccc5o4)c3)nc2c1.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5nc6c(ccc7ccccc76)o5)cc(-c5nc6c(ccc7ccccc76)o5)c4)cc3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5nc6c7ccccc7c7ccccc7c6o5)cc(-c5nc6c7ccccc7c7ccccc7c6o5)c4)cc3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5nc6cc7ccccc7cc6o5)cc(-c5nc6cc7ccccc7cc6o5)c4)cc3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5nc6ccc7ccccc7c6o5)cc(-c5nc6ccc7ccccc7c6o5)c4)cc3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccncc6o5)c4)cc3)cc21
InChIInChI=1S/C67H38N2O3.3C59H34N2O3.C53H28F6N2O3.C53H28N4O3.C51H28F2N2O3.C50H29N3O3/c1-5-20-51-45(15-1)47-17-3-7-22-53(47)63-61(51)68-65(71-63)43-35-42(36-44(37-43)66-69-62-52-21-6-2-16-46(52)48-18-4-8-23-54(48)64(62)72-66)40-31-29-39(30-32-40)41-33-34-50-49-19-9-10-24-55(49)67(58(50)38-41)56-25-11-13-27-59(56)70-60-28-14-12-26-57(60)67;1-3-13-43-37(11-1)26-29-51-55(43)63-57(60-51)41-31-40(32-42(33-41)58-61-52-30-27-38-12-2-4-14-44(38)56(52)64-58)36-23-21-35(22-24-36)39-25-28-46-45-15-5-6-16-47(45)59(50(46)34-39)48-17-7-9-19-53(48)62-54-20-10-8-18-49(54)59;1-3-13-43-37(11-1)26-29-53-55(43)60-57(63-53)41-31-40(32-42(33-41)58-61-56-44-14-4-2-12-38(44)27-30-54(56)64-58)36-23-21-35(22-24-36)39-25-28-46-45-15-5-6-16-47(45)59(50(46)34-39)48-17-7-9-19-51(48)62-52-20-10-8-18-49(52)59;1-3-13-39-33-55-51(31-37(39)11-1)60-57(63-55)43-27-42(28-44(29-43)58-61-52-32-38-12-2-4-14-40(38)34-56(52)64-58)36-23-21-35(22-24-36)41-25-26-46-45-15-5-6-16-47(45)59(50(46)30-41)48-17-7-9-19-53(48)62-54-20-10-8-18-49(54)59;54-52(55,56)35-18-21-47-43(27-35)60-49(63-47)33-23-32(24-34(25-33)50-61-44-28-36(53(57,58)59)19-22-48(44)64-50)30-15-13-29(14-16-30)31-17-20-38-37-7-1-2-8-39(37)51(42(38)26-31)40-9-3-5-11-45(40)62-46-12-6-4-10-41(46)51;54-29-31-13-21-49-45(23-31)56-51(59-49)37-25-36(26-38(27-37)52-57-46-24-32(30-55)14-22-50(46)60-52)34-17-15-33(16-18-34)35-19-20-40-39-7-1-2-8-41(39)53(44(40)28-35)42-9-3-5-11-47(42)58-48-12-6-4-10-43(48)53;52-35-18-21-43-47(27-35)57-49(54-43)33-23-32(24-34(25-33)50-55-44-22-19-36(53)28-48(44)58-50)30-15-13-29(14-16-30)31-17-20-38-37-7-1-2-8-39(37)51(42(38)26-31)40-9-3-5-11-45(40)56-46-12-6-4-10-41(46)51;1-2-10-38-36(9-1)37-22-21-32(28-41(37)50(38)39-11-3-6-14-44(39)54-45-15-7-4-12-40(45)50)30-17-19-31(20-18-30)33-25-34(48-52-42-13-5-8-16-46(42)55-48)27-35(26-33)49-53-43-23-24-51-29-47(43)56-49/h1-38H;3*1-34H;1-28H;1-28H;1-28H;1-29H
InChIKeyAOCUVRNBWWTGLT-UHFFFAOYSA-N
XLogP117.83
TPSA550.79 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds32
Heavy Atoms502
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006474.08
LogP ≤ 5117.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole with MolForge

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What is the IUPAC name of 2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole (CID 164951205) is 2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole is FC(F)(F)c1ccc2oc(-c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc4)cc(-c4nc5cc(C(F)(F)F)ccc5o4)c3)nc2c1.Fc1ccc2nc(-c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc4)cc(-c4nc5ccc(F)cc5o4)c3)oc2c1.N#Cc1ccc2oc(-c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc4)cc(-c4nc5cc(C#N)ccc5o4)c3)nc2c1.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5nc6c(ccc7ccccc76)o5)cc(-c5nc6c(ccc7ccccc76)o5)c4)cc3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5nc6c7ccccc7c7ccccc7c6o5)cc(-c5nc6c7ccccc7c7ccccc7c6o5)c4)cc3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5nc6cc7ccccc7cc6o5)cc(-c5nc6cc7ccccc7cc6o5)c4)cc3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5nc6ccc7ccccc7c6o5)cc(-c5nc6ccc7ccccc7c6o5)c4)cc3)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccncc6o5)c4)cc3)cc21.
What is the InChIKey of 2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is AOCUVRNBWWTGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H38N2O3.3C59H34N2O3.C53H28F6N2O3.C53H28N4O3.C51H28F2N2O3.C50H29N3O3/c1-5-20-51-45(15-1)47-17-3-7-22-53(47)63-61(51)68-65(71-63)43-35-42(36-44(37-43)66-69-62-52-21-6-2-16-46(52)48-18-4-8-23-54(48)64(62)72-66)40-31-29-39(30-32-40)41-33-34-50-49-19-9-10-24-55(49)67(58(50)38-41)56-25-11-13-27-59(56)70-60-28-14-12-26-57(60)67;1-3-13-43-37(11-1)26-29-51-55(43)63-57(60-51)41-31-40(32-42(33-41)58-61-52-30-27-38-12-2-4-14-44(38)56(52)64-58)36-23-21-35(22-24-36)39-25-28-46-45-15-5-6-16-47(45)59(50(46)34-39)48-17-7-9-19-53(48)62-54-20-10-8-18-49(54)59;1-3-13-43-37(11-1)26-29-53-55(43)60-57(63-53)41-31-40(32-42(33-41)58-61-56-44-14-4-2-12-38(44)27-30-54(56)64-58)36-23-21-35(22-24-36)39-25-28-46-45-15-5-6-16-47(45)59(50(46)34-39)48-17-7-9-19-51(48)62-52-20-10-8-18-49(52)59;1-3-13-39-33-55-51(31-37(39)11-1)60-57(63-55)43-27-42(28-44(29-43)58-61-52-32-38-12-2-4-14-40(38)34-56(52)64-58)36-23-21-35(22-24-36)41-25-26-46-45-15-5-6-16-47(45)59(50(46)30-41)48-17-7-9-19-53(48)62-54-20-10-8-18-49(54)59;54-52(55,56)35-18-21-47-43(27-35)60-49(63-47)33-23-32(24-34(25-33)50-61-44-28-36(53(57,58)59)19-22-48(44)64-50)30-15-13-29(14-16-30)31-17-20-38-37-7-1-2-8-39(37)51(42(38)26-31)40-9-3-5-11-45(40)62-46-12-6-4-10-41(46)51;54-29-31-13-21-49-45(23-31)56-51(59-49)37-25-36(26-38(27-37)52-57-46-24-32(30-55)14-22-50(46)60-52)34-17-15-33(16-18-34)35-19-20-40-39-7-1-2-8-41(39)53(44(40)28-35)42-9-3-5-11-47(42)58-48-12-6-4-10-43(48)53;52-35-18-21-43-47(27-35)57-49(54-43)33-23-32(24-34(25-33)50-55-44-22-19-36(53)28-48(44)58-50)30-15-13-29(14-16-30)31-17-20-38-37-7-1-2-8-39(37)51(42(38)26-31)40-9-3-5-11-45(40)56-46-12-6-4-10-41(46)51;1-2-10-38-36(9-1)37-22-21-32(28-41(37)50(38)39-11-3-6-14-44(39)54-45-15-7-4-12-40(45)50)30-17-19-31(20-18-30)33-25-34(48-52-42-13-5-8-16-46(42)55-48)27-35(26-33)49-53-43-23-24-51-29-47(43)56-49/h1-38H;3*1-34H;1-28H;1-28H;1-28H;1-29H.
What are the key properties of 2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole?
2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 6474.08 g/mol, XLogP of 117.83, 32 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzo[e][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[e][1,3]benzoxazole;2-[3-benzo[f][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[f][1,3]benzoxazole;2-[3-benzo[g][1,3]benzoxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]benzo[g][1,3]benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-[1,3]oxazolo[5,4-c]pyridine;2-[3-(5-cyano-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole-5-carbonitrile;6-fluoro-2-[3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-phenanthro[9,10-d][1,3]oxazol-2-yl-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-5-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-5-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 164951205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).