3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile

C404H241N25O6S — CID 157211925

IUPAC3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)cc(-c2cc3ccccc3c3ccccc23)c1.N#Cc1cc(-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc23)cc(-c2cc3ccccc3c3ccccc23)c1.N#Cc1cc(-c2ccc(-c3cccc4cccnc34)cc2)cc(-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc23)c1.N#Cc1cc(-c2ccc(-c3ccccn3)cc2)cc(-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc23)c1.N#Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc23)c1.N#Cc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)c1.N#Cc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc23)c1.N#Cc1cccc(-c2cc(C#N)cc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)c4ccccc34)c2)c1.N#Cc1cccc(-c2cc(C#N)cc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)cc4)c4ccccc34)c2)c1
InChIInChI=1S/C54H33N3.C50H31N3.C48H29N3O.C48H28N2O.C45H27N3O.C44H26N2O.C41H25N3O.C37H21N3O.C37H21N3S/c55-34-35-30-39(38-26-27-50-48-18-7-6-16-46(48)47-17-8-9-19-49(47)51(50)33-38)32-40(31-35)43-29-28-42(44-14-4-5-15-45(43)44)36-22-24-37(25-23-36)54-56-52-20-10-11-21-53(52)57(54)41-12-2-1-3-13-41;51-32-33-28-37(30-38(29-33)47-31-36-12-4-5-15-40(36)43-16-8-9-19-46(43)47)42-27-26-41(44-17-6-7-18-45(42)44)34-22-24-35(25-23-34)50-52-48-20-10-11-21-49(48)53(50)39-13-2-1-3-14-39;49-30-31-27-35(32-21-23-37(24-22-32)51-45-14-6-3-11-42(45)43-12-4-7-15-46(43)51)29-36(28-31)39-26-25-38(40-9-1-2-10-41(39)40)33-17-19-34(20-18-33)48-50-44-13-5-8-16-47(44)52-48;49-29-30-25-34(33-21-22-44-42-13-4-3-11-40(42)41-12-5-6-14-43(41)45(44)28-33)27-35(26-30)37-24-23-36(38-9-1-2-10-39(37)38)31-17-19-32(20-18-31)48-50-46-15-7-8-16-47(46)51-48;46-28-29-25-35(30-14-16-32(17-15-30)39-11-5-7-33-8-6-24-47-44(33)39)27-36(26-29)38-23-22-37(40-9-1-2-10-41(38)40)31-18-20-34(21-19-31)45-48-42-12-3-4-13-43(42)49-45;45-27-28-23-32(25-33(24-28)41-26-31-9-1-2-10-34(31)37-11-5-6-14-40(37)41)36-22-21-35(38-12-3-4-13-39(36)38)29-17-19-30(20-18-29)44-46-42-15-7-8-16-43(42)47-44;42-26-27-23-32(28-12-16-30(17-13-28)38-9-5-6-22-43-38)25-33(24-27)35-21-20-34(36-7-1-2-8-37(35)36)29-14-18-31(19-15-29)41-44-39-10-3-4-11-40(39)45-41;2*38-22-24-6-5-7-28(18-24)29-19-25(23-39)20-30(21-29)32-17-16-31(33-8-1-2-9-34(32)33)26-12-14-27(15-13-26)37-40-35-10-3-4-11-36(35)41-37/h1-33H;1-31H;1-29H;1-28H;1-27H;1-26H;1-25H;2*1-21H
InChIKeyARZJMLFKOOIZMD-UHFFFAOYSA-N
MW5573.61 g/mol
LogP106.20
Rot. Bonds41

About 3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile

3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile (PubChem CID 157211925) has the molecular formula C404H241N25O6S and a molecular weight of 5573.61 g/mol. Its IUPAC name is 3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile.

Molecular Properties

Compound Name3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile
PubChem CID157211925
Molecular FormulaC404H241N25O6S
Molecular Weight5573.61 g/mol
Exact Mass5568.90
IUPAC Name3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)cc(-c2cc3ccccc3c3ccccc23)c1.N#Cc1cc(-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc23)cc(-c2cc3ccccc3c3ccccc23)c1.N#Cc1cc(-c2ccc(-c3cccc4cccnc34)cc2)cc(-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc23)c1.N#Cc1cc(-c2ccc(-c3ccccn3)cc2)cc(-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc23)c1.N#Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc23)c1.N#Cc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)c1.N#Cc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc23)c1.N#Cc1cccc(-c2cc(C#N)cc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)c4ccccc34)c2)c1.N#Cc1cccc(-c2cc(C#N)cc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)cc4)c4ccccc34)c2)c1
InChIInChI=1S/C54H33N3.C50H31N3.C48H29N3O.C48H28N2O.C45H27N3O.C44H26N2O.C41H25N3O.C37H21N3O.C37H21N3S/c55-34-35-30-39(38-26-27-50-48-18-7-6-16-46(48)47-17-8-9-19-49(47)51(50)33-38)32-40(31-35)43-29-28-42(44-14-4-5-15-45(43)44)36-22-24-37(25-23-36)54-56-52-20-10-11-21-53(52)57(54)41-12-2-1-3-13-41;51-32-33-28-37(30-38(29-33)47-31-36-12-4-5-15-40(36)43-16-8-9-19-46(43)47)42-27-26-41(44-17-6-7-18-45(42)44)34-22-24-35(25-23-34)50-52-48-20-10-11-21-49(48)53(50)39-13-2-1-3-14-39;49-30-31-27-35(32-21-23-37(24-22-32)51-45-14-6-3-11-42(45)43-12-4-7-15-46(43)51)29-36(28-31)39-26-25-38(40-9-1-2-10-41(39)40)33-17-19-34(20-18-33)48-50-44-13-5-8-16-47(44)52-48;49-29-30-25-34(33-21-22-44-42-13-4-3-11-40(42)41-12-5-6-14-43(41)45(44)28-33)27-35(26-30)37-24-23-36(38-9-1-2-10-39(37)38)31-17-19-32(20-18-31)48-50-46-15-7-8-16-47(46)51-48;46-28-29-25-35(30-14-16-32(17-15-30)39-11-5-7-33-8-6-24-47-44(33)39)27-36(26-29)38-23-22-37(40-9-1-2-10-41(38)40)31-18-20-34(21-19-31)45-48-42-12-3-4-13-43(42)49-45;45-27-28-23-32(25-33(24-28)41-26-31-9-1-2-10-34(31)37-11-5-6-14-40(37)41)36-22-21-35(38-12-3-4-13-39(36)38)29-17-19-30(20-18-29)44-46-42-15-7-8-16-43(42)47-44;42-26-27-23-32(28-12-16-30(17-13-28)38-9-5-6-22-43-38)25-33(24-27)35-21-20-34(36-7-1-2-8-37(35)36)29-14-18-31(19-15-29)41-44-39-10-3-4-11-40(39)45-41;2*38-22-24-6-5-7-28(18-24)29-19-25(23-39)20-30(21-29)32-17-16-31(33-8-1-2-9-34(32)33)26-12-14-27(15-13-26)37-40-35-10-3-4-11-36(35)41-37/h1-33H;1-31H;1-29H;1-28H;1-27H;1-26H;1-25H;2*1-21H
InChIKeyARZJMLFKOOIZMD-UHFFFAOYSA-N
XLogP106.20
TPSA497.11 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds41
Heavy Atoms436
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005573.61
LogP ≤ 5106.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile with MolForge

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Related Compounds

1-Cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-phenyl-4-propan-2-ylcarbazole;1-phenyl-2-(4-propan-2-ylphenyl)benzimidazole;4-propan-2-ylbenzonitrile;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;2-(4-propan-2-ylphenyl)-1,3-benzothiazole;2-(4-propan-2-ylphenyl)-1,3-benzoxazole;9-(4-propan-2-ylphenyl)carbazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 157063515
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
dialuminum;diberyllium;tetragallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;bis(N-[2-(benzotriazol-2-yl)phenyl]-2,2,2-trifluoroethanimidate);[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;2-(1-methylpyrrol-2-yl)phenolate;bis([2-(1-phenylbenzimidazol-2-yl)phenyl]-(trifluoromethyl)azanide);2-pyridin-2-ylnaphthalen-1-olate
CID 157512452
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
2-[3-(10b,10c-Dihydropyren-4-yl)-5-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-[3-[5-(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-[3-[4-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 157966551
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
CID 158633368
CID 158633368
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
6-[2-(Benzimidazol-1-yl)ethyl]-5-phenylindolo[2,3-b]indole;9-[8-(2-dibenzofuran-2-ylethyl)dibenzofuran-4-yl]carbazole-3-carbonitrile;9,9-dimethyl-10-[2-[3-(2,2,3,3-tetrafluoropropyl)carbazol-9-yl]ethyl]acridine;3-[5-[2-(18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-9-yl)ethyl]-3-pyridinyl]benzonitrile;2-[2-(5-phenylindolo[2,3-b]carbazol-7-yl)ethyl]-1,3-benzothiazole;9-phenyl-14-[2-(1-phenylbenzimidazol-2-yl)ethyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-phenyl-6-(2-pyrimidin-5-ylethyl)indolo[2,3-b]indole;12-phenyl-5-(pyrimidin-5-yloxymethyl)indolo[3,2-c]carbazole
CID 159195948
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160153675

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile?
The IUPAC name of 3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile (CID 157211925) is 3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile.
What is the SMILES notation for 3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile?
The canonical SMILES for 3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile is N#Cc1cc(-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)cc(-c2cc3ccccc3c3ccccc23)c1.N#Cc1cc(-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc23)cc(-c2cc3ccccc3c3ccccc23)c1.N#Cc1cc(-c2ccc(-c3cccc4cccnc34)cc2)cc(-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc23)c1.N#Cc1cc(-c2ccc(-c3ccccn3)cc2)cc(-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc23)c1.N#Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc23)c1.N#Cc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)c1.N#Cc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc23)c1.N#Cc1cccc(-c2cc(C#N)cc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)c4ccccc34)c2)c1.N#Cc1cccc(-c2cc(C#N)cc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)cc4)c4ccccc34)c2)c1.
What is the InChIKey of 3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile?
The InChIKey is ARZJMLFKOOIZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3.C50H31N3.C48H29N3O.C48H28N2O.C45H27N3O.C44H26N2O.C41H25N3O.C37H21N3O.C37H21N3S/c55-34-35-30-39(38-26-27-50-48-18-7-6-16-46(48)47-17-8-9-19-49(47)51(50)33-38)32-40(31-35)43-29-28-42(44-14-4-5-15-45(43)44)36-22-24-37(25-23-36)54-56-52-20-10-11-21-53(52)57(54)41-12-2-1-3-13-41;51-32-33-28-37(30-38(29-33)47-31-36-12-4-5-15-40(36)43-16-8-9-19-46(43)47)42-27-26-41(44-17-6-7-18-45(42)44)34-22-24-35(25-23-34)50-52-48-20-10-11-21-49(48)53(50)39-13-2-1-3-14-39;49-30-31-27-35(32-21-23-37(24-22-32)51-45-14-6-3-11-42(45)43-12-4-7-15-46(43)51)29-36(28-31)39-26-25-38(40-9-1-2-10-41(39)40)33-17-19-34(20-18-33)48-50-44-13-5-8-16-47(44)52-48;49-29-30-25-34(33-21-22-44-42-13-4-3-11-40(42)41-12-5-6-14-43(41)45(44)28-33)27-35(26-30)37-24-23-36(38-9-1-2-10-39(37)38)31-17-19-32(20-18-31)48-50-46-15-7-8-16-47(46)51-48;46-28-29-25-35(30-14-16-32(17-15-30)39-11-5-7-33-8-6-24-47-44(33)39)27-36(26-29)38-23-22-37(40-9-1-2-10-41(38)40)31-18-20-34(21-19-31)45-48-42-12-3-4-13-43(42)49-45;45-27-28-23-32(25-33(24-28)41-26-31-9-1-2-10-34(31)37-11-5-6-14-40(37)41)36-22-21-35(38-12-3-4-13-39(36)38)29-17-19-30(20-18-29)44-46-42-15-7-8-16-43(42)47-44;42-26-27-23-32(28-12-16-30(17-13-28)38-9-5-6-22-43-38)25-33(24-27)35-21-20-34(36-7-1-2-8-37(35)36)29-14-18-31(19-15-29)41-44-39-10-3-4-11-40(39)45-41;2*38-22-24-6-5-7-28(18-24)29-19-25(23-39)20-30(21-29)32-17-16-31(33-8-1-2-9-34(32)33)26-12-14-27(15-13-26)37-40-35-10-3-4-11-36(35)41-37/h1-33H;1-31H;1-29H;1-28H;1-27H;1-26H;1-25H;2*1-21H.
What are the key properties of 3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile?
3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile has a molecular weight of 5573.61 g/mol, XLogP of 106.20, 41 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-carbazol-9-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(3-cyanophenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-pyridin-2-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-(4-quinolin-8-ylphenyl)benzonitrile;3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile;3-phenanthren-9-yl-5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile is sourced from PubChem (CID 157211925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).