10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine

C210H128N20O12S2 — CID 158705071

IUPAC10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4N4c5ccccc5Oc5ccccc54)c(N4c5ccccc5Oc5ccccc54)c3)nc3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3o2)ccc1-c1ccc(-c2nc3ccccc3o2)cc1N1c2ccccc2Oc2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)ccc1-c1ccc(-c2nc3ccccc3s2)cc1N1c2ccccc2Oc2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ncccc3o2)ccc1-c1ccc(-c2nc3ncccc3o2)cc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C62H40N6O2.C50H30N4O4.C50H30N4O2S2.C48H28N6O4/c1-3-19-43(20-4-1)65-49-25-9-7-23-47(49)63-61(65)41-35-37-45(55(39-41)67-51-27-11-15-31-57(51)69-58-32-16-12-28-52(58)67)46-38-36-42(62-64-48-24-8-10-26-50(48)66(62)44-21-5-2-6-22-44)40-56(46)68-53-29-13-17-33-59(53)70-60-34-18-14-30-54(60)68;1-7-19-43-35(13-1)51-49(57-43)31-25-27-33(41(29-31)53-37-15-3-9-21-45(37)55-46-22-10-4-16-38(46)53)34-28-26-32(50-52-36-14-2-8-20-44(36)58-50)30-42(34)54-39-17-5-11-23-47(39)56-48-24-12-6-18-40(48)54;1-11-23-47-35(13-1)51-49(57-47)31-25-27-33(41(29-31)53-37-15-3-7-19-43(37)55-44-20-8-4-16-38(44)53)34-28-26-32(50-52-36-14-2-12-24-48(36)58-50)30-42(34)54-39-17-5-9-21-45(39)56-46-22-10-6-18-40(46)54;1-5-15-39-33(11-1)53(34-12-2-6-16-40(34)55-39)37-27-29(47-51-45-43(57-47)19-9-25-49-45)21-23-31(37)32-24-22-30(48-52-46-44(58-48)20-10-26-50-46)28-38(32)54-35-13-3-7-17-41(35)56-42-18-8-4-14-36(42)54/h1-40H;2*1-30H;1-28H
InChIKeyIHZYRQJWGQFZSH-UHFFFAOYSA-N
MW3187.60 g/mol
LogP58.61
Rot. Bonds22

About 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine

10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine (PubChem CID 158705071) has the molecular formula C210H128N20O12S2 and a molecular weight of 3187.60 g/mol. Its IUPAC name is 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
PubChem CID158705071
Molecular FormulaC210H128N20O12S2
Molecular Weight3187.60 g/mol
Exact Mass3184.95
IUPAC Name10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4N4c5ccccc5Oc5ccccc54)c(N4c5ccccc5Oc5ccccc54)c3)nc3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3o2)ccc1-c1ccc(-c2nc3ccccc3o2)cc1N1c2ccccc2Oc2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)ccc1-c1ccc(-c2nc3ccccc3s2)cc1N1c2ccccc2Oc2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ncccc3o2)ccc1-c1ccc(-c2nc3ncccc3o2)cc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C62H40N6O2.C50H30N4O4.C50H30N4O2S2.C48H28N6O4/c1-3-19-43(20-4-1)65-49-25-9-7-23-47(49)63-61(65)41-35-37-45(55(39-41)67-51-27-11-15-31-57(51)69-58-32-16-12-28-52(58)67)46-38-36-42(62-64-48-24-8-10-26-50(48)66(62)44-21-5-2-6-22-44)40-56(46)68-53-29-13-17-33-59(53)70-60-34-18-14-30-54(60)68;1-7-19-43-35(13-1)51-49(57-43)31-25-27-33(41(29-31)53-37-15-3-9-21-45(37)55-46-22-10-4-16-38(46)53)34-28-26-32(50-52-36-14-2-8-20-44(36)58-50)30-42(34)54-39-17-5-11-23-47(39)56-48-24-12-6-18-40(48)54;1-11-23-47-35(13-1)51-49(57-47)31-25-27-33(41(29-31)53-37-15-3-7-19-43(37)55-44-20-8-4-16-38(44)53)34-28-26-32(50-52-36-14-2-12-24-48(36)58-50)30-42(34)54-39-17-5-9-21-45(39)56-46-22-10-6-18-40(46)54;1-5-15-39-33(11-1)53(34-12-2-6-16-40(34)55-39)37-27-29(47-51-45-43(57-47)19-9-25-49-45)21-23-31(37)32-24-22-30(48-52-46-44(58-48)20-10-26-50-46)28-38(32)54-35-13-3-7-17-41(35)56-42-18-8-4-14-36(42)54/h1-40H;2*1-30H;1-28H
InChIKeyIHZYRQJWGQFZSH-UHFFFAOYSA-N
XLogP58.61
TPSA291.08 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds22
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003187.60
LogP ≤ 558.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine 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 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine (CID 158705071) is 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine is c1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4N4c5ccccc5Oc5ccccc54)c(N4c5ccccc5Oc5ccccc54)c3)nc3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3o2)ccc1-c1ccc(-c2nc3ccccc3o2)cc1N1c2ccccc2Oc2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)ccc1-c1ccc(-c2nc3ccccc3s2)cc1N1c2ccccc2Oc2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ncccc3o2)ccc1-c1ccc(-c2nc3ncccc3o2)cc1N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The InChIKey is IHZYRQJWGQFZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N6O2.C50H30N4O4.C50H30N4O2S2.C48H28N6O4/c1-3-19-43(20-4-1)65-49-25-9-7-23-47(49)63-61(65)41-35-37-45(55(39-41)67-51-27-11-15-31-57(51)69-58-32-16-12-28-52(58)67)46-38-36-42(62-64-48-24-8-10-26-50(48)66(62)44-21-5-2-6-22-44)40-56(46)68-53-29-13-17-33-59(53)70-60-34-18-14-30-54(60)68;1-7-19-43-35(13-1)51-49(57-43)31-25-27-33(41(29-31)53-37-15-3-9-21-45(37)55-46-22-10-4-16-38(46)53)34-28-26-32(50-52-36-14-2-8-20-44(36)58-50)30-42(34)54-39-17-5-11-23-47(39)56-48-24-12-6-18-40(48)54;1-11-23-47-35(13-1)51-49(57-47)31-25-27-33(41(29-31)53-37-15-3-7-19-43(37)55-44-20-8-4-16-38(44)53)34-28-26-32(50-52-36-14-2-12-24-48(36)58-50)30-42(34)54-39-17-5-9-21-45(39)56-46-22-10-6-18-40(46)54;1-5-15-39-33(11-1)53(34-12-2-6-16-40(34)55-39)37-27-29(47-51-45-43(57-47)19-9-25-49-45)21-23-31(37)32-24-22-30(48-52-46-44(58-48)20-10-26-50-46)28-38(32)54-35-13-3-7-17-41(35)56-42-18-8-4-14-36(42)54/h1-40H;2*1-30H;1-28H.
What are the key properties of 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine has a molecular weight of 3187.60 g/mol, XLogP of 58.61, 22 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 158705071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).