2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline

C205H137N25O2S4 — CID 158657603

IUPAC2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4)cn3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)nc4)cn3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)nc4)cn3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)nc4)cn3)cc2)cc1.c1ccc2oc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)nc4)cn3)nc2c1.c1ccc2sc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)nc4)cn3)nc2c1
InChIInChI=1S/C46H32N4.C41H29N5.C35H24N4O.C35H24N4S.C24H14N4OS.C24H14N4S2/c1-3-11-37(12-4-1)49(38-13-5-2-6-14-38)39-25-19-33(20-26-39)43-29-23-35(31-47-43)36-24-30-44(48-32-36)34-21-27-40(28-22-34)50-45-17-9-7-15-41(45)42-16-8-10-18-46(42)50;1-4-12-33(13-5-1)45(34-14-6-2-7-15-34)36-24-20-30(21-25-36)37-26-22-31(28-42-37)32-23-27-39(43-29-32)41-44-38-18-10-11-19-40(38)46(41)35-16-8-3-9-17-35;2*1-3-9-28(10-4-1)39(29-11-5-2-6-12-29)30-19-15-25(16-20-30)31-21-17-26(23-36-31)27-18-22-33(37-24-27)35-38-32-13-7-8-14-34(32)40-35;2*1-3-7-21-17(5-1)27-23(29-21)19-11-9-15(13-25-19)16-10-12-20(26-14-16)24-28-18-6-2-4-8-22(18)30-24/h1-32H;1-29H;2*1-24H;2*1-14H
InChIKeyICILFPRAQNUYSO-UHFFFAOYSA-N
MW3110.79 g/mol
LogP53.90
Rot. Bonds32

About 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline

2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline (PubChem CID 158657603) has the molecular formula C205H137N25O2S4 and a molecular weight of 3110.79 g/mol. Its IUPAC name is 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline.

Molecular Properties

Compound Name2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline
PubChem CID158657603
Molecular FormulaC205H137N25O2S4
Molecular Weight3110.79 g/mol
Exact Mass3108.03
IUPAC Name2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4)cn3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)nc4)cn3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)nc4)cn3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)nc4)cn3)cc2)cc1.c1ccc2oc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)nc4)cn3)nc2c1.c1ccc2sc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)nc4)cn3)nc2c1
InChIInChI=1S/C46H32N4.C41H29N5.C35H24N4O.C35H24N4S.C24H14N4OS.C24H14N4S2/c1-3-11-37(12-4-1)49(38-13-5-2-6-14-38)39-25-19-33(20-26-39)43-29-23-35(31-47-43)36-24-30-44(48-32-36)34-21-27-40(28-22-34)50-45-17-9-7-15-41(45)42-16-8-10-18-46(42)50;1-4-12-33(13-5-1)45(34-14-6-2-7-15-34)36-24-20-30(21-25-36)37-26-22-31(28-42-37)32-23-27-39(43-29-32)41-44-38-18-10-11-19-40(38)46(41)35-16-8-3-9-17-35;2*1-3-9-28(10-4-1)39(29-11-5-2-6-12-29)30-19-15-25(16-20-30)31-21-17-26(23-36-31)27-18-22-33(37-24-27)35-38-32-13-7-8-14-34(32)40-35;2*1-3-7-21-17(5-1)27-23(29-21)19-11-9-15(13-25-19)16-10-12-20(26-14-16)24-28-18-6-2-4-8-22(18)30-24/h1-32H;1-29H;2*1-24H;2*1-14H
InChIKeyICILFPRAQNUYSO-UHFFFAOYSA-N
XLogP53.90
TPSA294.01 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds32
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003110.79
LogP ≤ 553.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline 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
3-Ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole
CID 157189623
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;trigallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157760113
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
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
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
2,5-Dimethyl-1,3-benzothiazole;1-methoxy-4-methylbenzene;5-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-5-phenyl-1,2,4-oxadiazole;2-methylpyrazine;2-methylpyrimidine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyl-4-thiophen-2-ylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine
CID 158298930
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
CID 158466648
CID 158466648
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline?
The IUPAC name of 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline (CID 158657603) is 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline.
What is the SMILES notation for 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline?
The canonical SMILES for 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4)cn3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)nc4)cn3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)nc4)cn3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)nc4)cn3)cc2)cc1.c1ccc2oc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)nc4)cn3)nc2c1.c1ccc2sc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)nc4)cn3)nc2c1.
What is the InChIKey of 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline?
The InChIKey is ICILFPRAQNUYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4.C41H29N5.C35H24N4O.C35H24N4S.C24H14N4OS.C24H14N4S2/c1-3-11-37(12-4-1)49(38-13-5-2-6-14-38)39-25-19-33(20-26-39)43-29-23-35(31-47-43)36-24-30-44(48-32-36)34-21-27-40(28-22-34)50-45-17-9-7-15-41(45)42-16-8-10-18-46(42)50;1-4-12-33(13-5-1)45(34-14-6-2-7-15-34)36-24-20-30(21-25-36)37-26-22-31(28-42-37)32-23-27-39(43-29-32)41-44-38-18-10-11-19-40(38)46(41)35-16-8-3-9-17-35;2*1-3-9-28(10-4-1)39(29-11-5-2-6-12-29)30-19-15-25(16-20-30)31-21-17-26(23-36-31)27-18-22-33(37-24-27)35-38-32-13-7-8-14-34(32)40-35;2*1-3-7-21-17(5-1)27-23(29-21)19-11-9-15(13-25-19)16-10-12-20(26-14-16)24-28-18-6-2-4-8-22(18)30-24/h1-32H;1-29H;2*1-24H;2*1-14H.
What are the key properties of 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline?
2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline has a molecular weight of 3110.79 g/mol, XLogP of 53.90, 32 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole;4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(1,3-benzoxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;N,N-diphenyl-4-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]aniline is sourced from PubChem (CID 158657603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).