2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole

C249H148N30O11S — CID 157314659

IUPAC2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ncccn3)cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)cc1.c1ccc(-c2cnc(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)nc2)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7s6)ccc54)cc3)nc3ccccc32)cc1.c1cnc(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)nc1.c1cnc(-c2cccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)nc1
InChIInChI=1S/C48H29N5O2.C45H27N5OS.2C42H25N5O2.2C36H21N5O2/c1-3-11-30(12-4-1)40-29-41(31-13-5-2-6-14-31)50-46(49-40)32-19-23-35(24-20-32)53-42-25-21-33(47-51-38-15-7-9-17-44(38)54-47)27-36(42)37-28-34(22-26-43(37)53)48-52-39-16-8-10-18-45(39)55-48;1-2-10-31(11-3-1)50-40-15-7-4-12-35(40)46-43(50)28-18-22-32(23-19-28)49-38-24-20-29(44-47-36-13-5-8-16-41(36)51-44)26-33(38)34-27-30(21-25-39(34)49)45-48-37-14-6-9-17-42(37)52-45;1-2-9-26(10-3-1)29-21-30(40-43-19-8-20-44-40)23-31(22-29)47-36-17-15-27(41-45-34-11-4-6-13-38(34)48-41)24-32(36)33-25-28(16-18-37(33)47)42-46-35-12-5-7-14-39(35)49-42;1-2-8-26(9-3-1)30-24-43-40(44-25-30)27-14-18-31(19-15-27)47-36-20-16-28(41-45-34-10-4-6-12-38(34)48-41)22-32(36)33-23-29(17-21-37(33)47)42-46-35-11-5-7-13-39(35)49-42;1-3-11-32-28(9-1)39-35(42-32)23-13-15-30-26(20-23)27-21-24(36-40-29-10-2-4-12-33(29)43-36)14-16-31(27)41(30)25-8-5-7-22(19-25)34-37-17-6-18-38-34;1-3-8-32-28(6-1)39-35(42-32)23-12-16-30-26(20-23)27-21-24(36-40-29-7-2-4-9-33(29)43-36)13-17-31(27)41(30)25-14-10-22(11-15-25)34-37-18-5-19-38-34/h1-29H;1-27H;2*1-25H;2*1-21H
InChIKeyBDLISUKRVVYDOI-UHFFFAOYSA-N
MW3768.19 g/mol
LogP62.83
Rot. Bonds29

About 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole

2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole (PubChem CID 157314659) has the molecular formula C249H148N30O11S and a molecular weight of 3768.19 g/mol. Its IUPAC name is 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
PubChem CID157314659
Molecular FormulaC249H148N30O11S
Molecular Weight3768.19 g/mol
Exact Mass3765.17
IUPAC Name2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ncccn3)cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)cc1.c1ccc(-c2cnc(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)nc2)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7s6)ccc54)cc3)nc3ccccc32)cc1.c1cnc(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)nc1.c1cnc(-c2cccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)nc1
InChIInChI=1S/C48H29N5O2.C45H27N5OS.2C42H25N5O2.2C36H21N5O2/c1-3-11-30(12-4-1)40-29-41(31-13-5-2-6-14-31)50-46(49-40)32-19-23-35(24-20-32)53-42-25-21-33(47-51-38-15-7-9-17-44(38)54-47)27-36(42)37-28-34(22-26-43(37)53)48-52-39-16-8-10-18-45(39)55-48;1-2-10-31(11-3-1)50-40-15-7-4-12-35(40)46-43(50)28-18-22-32(23-19-28)49-38-24-20-29(44-47-36-13-5-8-16-41(36)51-44)26-33(38)34-27-30(21-25-39(34)49)45-48-37-14-6-9-17-42(37)52-45;1-2-9-26(10-3-1)29-21-30(40-43-19-8-20-44-40)23-31(22-29)47-36-17-15-27(41-45-34-11-4-6-13-38(34)48-41)24-32(36)33-25-28(16-18-37(33)47)42-46-35-12-5-7-14-39(35)49-42;1-2-8-26(9-3-1)30-24-43-40(44-25-30)27-14-18-31(19-15-27)47-36-20-16-28(41-45-34-10-4-6-12-38(34)48-41)22-32(36)33-23-29(17-21-37(33)47)42-46-35-11-5-7-13-39(35)49-42;1-3-11-32-28(9-1)39-35(42-32)23-13-15-30-26(20-23)27-21-24(36-40-29-10-2-4-12-33(29)43-36)14-16-31(27)41(30)25-8-5-7-22(19-25)34-37-17-6-18-38-34;1-3-8-32-28(6-1)39-35(42-32)23-12-16-30-26(20-23)27-21-24(36-40-29-7-2-4-9-33(29)43-36)13-17-31(27)41(30)25-14-10-22(11-15-25)34-37-18-5-19-38-34/h1-29H;1-27H;2*1-25H;2*1-21H
InChIKeyBDLISUKRVVYDOI-UHFFFAOYSA-N
XLogP62.83
TPSA475.52 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds29
Heavy Atoms291
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003768.19
LogP ≤ 562.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole 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
N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N,N-bis[3-[2-(2,6-dimethylphenyl)thieno[3,2-c]pyridin-4-yl]-5-phenylbenzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-3-phenyl-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)furo[3,2-c]pyridin-4-yl]benzene-6-id-1-amine;tetrakis(platinum(2+))
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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
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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
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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
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
2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum
CID 158586523

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole (CID 157314659) is 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ncccn3)cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)cc1.c1ccc(-c2cnc(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)cc3)nc2)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7s6)ccc54)cc3)nc3ccccc32)cc1.c1cnc(-c2ccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)nc1.c1cnc(-c2cccc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)c2)nc1.
What is the InChIKey of 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole?
The InChIKey is BDLISUKRVVYDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5O2.C45H27N5OS.2C42H25N5O2.2C36H21N5O2/c1-3-11-30(12-4-1)40-29-41(31-13-5-2-6-14-31)50-46(49-40)32-19-23-35(24-20-32)53-42-25-21-33(47-51-38-15-7-9-17-44(38)54-47)27-36(42)37-28-34(22-26-43(37)53)48-52-39-16-8-10-18-45(39)55-48;1-2-10-31(11-3-1)50-40-15-7-4-12-35(40)46-43(50)28-18-22-32(23-19-28)49-38-24-20-29(44-47-36-13-5-8-16-41(36)51-44)26-33(38)34-27-30(21-25-39(34)49)45-48-37-14-6-9-17-42(37)52-45;1-2-9-26(10-3-1)29-21-30(40-43-19-8-20-44-40)23-31(22-29)47-36-17-15-27(41-45-34-11-4-6-13-38(34)48-41)24-32(36)33-25-28(16-18-37(33)47)42-46-35-12-5-7-14-39(35)49-42;1-2-8-26(9-3-1)30-24-43-40(44-25-30)27-14-18-31(19-15-27)47-36-20-16-28(41-45-34-10-4-6-12-38(34)48-41)22-32(36)33-23-29(17-21-37(33)47)42-46-35-11-5-7-13-39(35)49-42;1-3-11-32-28(9-1)39-35(42-32)23-13-15-30-26(20-23)27-21-24(36-40-29-10-2-4-12-33(29)43-36)14-16-31(27)41(30)25-8-5-7-22(19-25)34-37-17-6-18-38-34;1-3-8-32-28(6-1)39-35(42-32)23-12-16-30-26(20-23)27-21-24(36-40-29-7-2-4-9-33(29)43-36)13-17-31(27)41(30)25-14-10-22(11-15-25)34-37-18-5-19-38-34/h1-29H;1-27H;2*1-25H;2*1-21H.
What are the key properties of 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole?
2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole has a molecular weight of 3768.19 g/mol, XLogP of 62.83, 29 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 157314659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).