9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole

C187H134N22O8S4 — CID 157455667

IUPAC9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole
SMILESCCOc1ccc(-c2cn(-c3c(C)cc(C)c4c3c3nc(C)ccc3n4Cn3c4ccc(C)nc4c4c(-n5cc(-c6ccc(OCC)o6)c(-c6ccc(OCC)o6)c5)c(C)cc(C)c43)cc2-c2ccc(OCC)o2)o1.c1ccc(-c2cncc(-c3ccc4c(c3)c3cc(-c5cncc(-c6ccccc6)c5)ccc3n4-c3ccc4sc5ccc(-n6c7ccc(-c8cncc(-c9ccccc9)c8)cc7c7cc(-c8cncc(-c9ccccc9)c8)ccc76)cc5c4c3)c2)cc1.c1cnc2c(c1)c1cccc(-c3ncsc3-c3ncc[nH]3)c1n2-c1ccc2sc3ccc(-n4c5ncccc5c5cccc(-c6ncsc6-c6ncc[nH]6)c54)cc3c2c1
InChIInChI=1S/C80H50N6S.C61H58N6O8.C46H26N10S3/c1-5-13-51(14-6-1)59-33-63(47-81-43-59)55-21-27-75-69(37-55)70-38-56(64-34-60(44-82-48-64)52-15-7-2-8-16-52)22-28-76(70)85(75)67-25-31-79-73(41-67)74-42-68(26-32-80(74)87-79)86-77-29-23-57(65-35-61(45-83-49-65)53-17-9-3-10-18-53)39-71(77)72-40-58(24-30-78(72)86)66-36-62(46-84-50-66)54-19-11-4-12-20-54;1-11-68-50-23-19-46(72-50)40-29-64(30-41(40)47-20-24-51(73-47)69-12-2)58-34(5)27-36(7)60-54(58)56-44(17-15-38(9)62-56)66(60)33-67-45-18-16-39(10)63-57(45)55-59(35(6)28-37(8)61(55)67)65-31-42(48-21-25-52(74-48)70-13-3)43(32-65)49-22-26-53(75-49)71-14-4;1-5-27-29-9-3-15-51-45(29)55(39(27)31(7-1)37-41(57-23-53-37)43-47-17-18-48-43)25-11-13-35-33(21-25)34-22-26(12-14-36(34)59-35)56-40-28(30-10-4-16-52-46(30)56)6-2-8-32(40)38-42(58-24-54-38)44-49-19-20-50-44/h1-50H;15-32H,11-14,33H2,1-10H3;1-24H,(H,47,48)(H,49,50)
InChIKeyBTICQKAWHUXEPY-UHFFFAOYSA-N
MW2945.54 g/mol
LogP48.50
Rot. Bonds32

About 9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole

9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole (PubChem CID 157455667) has the molecular formula C187H134N22O8S4 and a molecular weight of 2945.54 g/mol. Its IUPAC name is 9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole.

Molecular Properties

Compound Name9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole
PubChem CID157455667
Molecular FormulaC187H134N22O8S4
Molecular Weight2945.54 g/mol
Exact Mass2942.96
IUPAC Name9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole
SMILESCCOc1ccc(-c2cn(-c3c(C)cc(C)c4c3c3nc(C)ccc3n4Cn3c4ccc(C)nc4c4c(-n5cc(-c6ccc(OCC)o6)c(-c6ccc(OCC)o6)c5)c(C)cc(C)c43)cc2-c2ccc(OCC)o2)o1.c1ccc(-c2cncc(-c3ccc4c(c3)c3cc(-c5cncc(-c6ccccc6)c5)ccc3n4-c3ccc4sc5ccc(-n6c7ccc(-c8cncc(-c9ccccc9)c8)cc7c7cc(-c8cncc(-c9ccccc9)c8)ccc76)cc5c4c3)c2)cc1.c1cnc2c(c1)c1cccc(-c3ncsc3-c3ncc[nH]3)c1n2-c1ccc2sc3ccc(-n4c5ncccc5c5cccc(-c6ncsc6-c6ncc[nH]6)c54)cc3c2c1
InChIInChI=1S/C80H50N6S.C61H58N6O8.C46H26N10S3/c1-5-13-51(14-6-1)59-33-63(47-81-43-59)55-21-27-75-69(37-55)70-38-56(64-34-60(44-82-48-64)52-15-7-2-8-16-52)22-28-76(70)85(75)67-25-31-79-73(41-67)74-42-68(26-32-80(74)87-79)86-77-29-23-57(65-35-61(45-83-49-65)53-17-9-3-10-18-53)39-71(77)72-40-58(24-30-78(72)86)66-36-62(46-84-50-66)54-19-11-4-12-20-54;1-11-68-50-23-19-46(72-50)40-29-64(30-41(40)47-20-24-51(73-47)69-12-2)58-34(5)27-36(7)60-54(58)56-44(17-15-38(9)62-56)66(60)33-67-45-18-16-39(10)63-57(45)55-59(35(6)28-37(8)61(55)67)65-31-42(48-21-25-52(74-48)70-13-3)43(32-65)49-22-26-53(75-49)71-14-4;1-5-27-29-9-3-15-51-45(29)55(39(27)31(7-1)37-41(57-23-53-37)43-47-17-18-48-43)25-11-13-35-33(21-25)34-22-26(12-14-36(34)59-35)56-40-28(30-10-4-16-52-46(30)56)6-2-8-32(40)38-42(58-24-54-38)44-49-19-20-50-44/h1-50H;15-32H,11-14,33H2,1-10H3;1-24H,(H,47,48)(H,49,50)
InChIKeyBTICQKAWHUXEPY-UHFFFAOYSA-N
XLogP48.50
TPSA315.18 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002945.54
LogP ≤ 548.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Analyze 9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole with MolForge

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Related Compounds

4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 91229474
9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 157122505
2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole
CID 157238479
9-[3,4-Bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;6-[3-(1-phenylimidazol-2-yl)phenyl]-9-[3-[3-(1,3,5-triazin-2-yl)pyrido[2,3-b]indol-9-yl]phenyl]pyrido[3,4-b]indole;6-[[2-[[9-phenyl-6-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]carbazol-3-yl]methyl]furo[2,3-f][1]benzofuran-6-yl]methyl]-9-pyridin-4-ylpyrido[2,3-b]indole
CID 157504369
6-methylcinnoline;3-methyl-2-(5-methylthiophen-2-yl)-1H-imidazol-3-ium;3-methyl-1,5-naphthyridine;3-methyl-1,6-naphthyridine;3-methyl-1,8-naphthyridine;bis(5-methyl-3-pyridin-2-yl-1,2-oxazole);3-methylquinoline;6-methylquinoline;7-methylquinoline;bis(5-methyl-3-quinolin-3-yl-1,2-oxazole);5-methylthieno[2,3-b]pyridine;2-(5-methylthiophen-2-yl)furan;2-(5-methylthiophen-2-yl)pyrazine;2-(5-methylthiophen-2-yl)pyridine;3-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)pyridine-3-carbonitrile;2-(5-methylthiophen-2-yl)pyrimidine;5-(5-methylthiophen-2-yl)pyrimidine;2-(5-methylthiophen-2-yl)-1,3-thiazole;4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(5-methylthiophen-2-yl)-1,3-thiazole
CID 157712501
3-Carbazol-9-yl-9-[4-(3-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[6-(3-dibenzothiophen-4-ylphenyl)pyrazin-2-yl]carbazole;3-carbazol-9-yl-9-[6-(3-dibenzothiophen-4-ylphenyl)pyrimidin-4-yl]carbazole;3-carbazol-9-yl-9-[4-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-[3-(2-dibenzothiophen-4-ylpyrimidin-4-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-(6-dibenzothiophen-4-ylpyrimidin-4-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 158068555
2-(1-benzothiophen-2-yl)-4-[2,6-bis[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]-8-[2-[4,6,8-tris[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]dibenzothiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]dibenzothiophen-4-yl]-1,3-oxazole;9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;8-[3-[3,6-bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole
CID 158461857
4-[8-amino-1-(1-benzofuran-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 158609152
7-(1-benzofuran-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1H-indol-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(2-methoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 158666732
5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide
CID 158669977
bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-1,3-benzothiazol-2-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine
CID 158767357
6-methylcinnoline;3-methyl-2-(5-methylthiophen-2-yl)-1H-imidazol-3-ium;3-methyl-1,5-naphthyridine;3-methyl-1,6-naphthyridine;3-methyl-1,8-naphthyridine;bis(5-methyl-3-pyridin-2-yl-1,2-oxazole);3-methylquinoline;6-methylquinoline;7-methylquinoline;5-methyl-3-quinolin-3-yl-1,2-oxazole;5-methylthieno[2,3-b]pyridine;2-(5-methylthiophen-2-yl)furan;2-(5-methylthiophen-2-yl)pyrazine;2-(5-methylthiophen-2-yl)pyridine;3-(5-methylthiophen-2-yl)pyridine;4-(5-methylthiophen-2-yl)pyridine;5-(5-methylthiophen-2-yl)pyridine-3-carbonitrile;2-(5-methylthiophen-2-yl)pyrimidine;5-(5-methylthiophen-2-yl)pyrimidine;2-(5-methylthiophen-2-yl)-1,3-thiazole;4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(5-methylthiophen-2-yl)-1,3-thiazole
CID 158815218

Frequently Asked Questions

What is the IUPAC name of 9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole?
The IUPAC name of 9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole (CID 157455667) is 9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole.
What is the SMILES notation for 9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole?
The canonical SMILES for 9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole is CCOc1ccc(-c2cn(-c3c(C)cc(C)c4c3c3nc(C)ccc3n4Cn3c4ccc(C)nc4c4c(-n5cc(-c6ccc(OCC)o6)c(-c6ccc(OCC)o6)c5)c(C)cc(C)c43)cc2-c2ccc(OCC)o2)o1.c1ccc(-c2cncc(-c3ccc4c(c3)c3cc(-c5cncc(-c6ccccc6)c5)ccc3n4-c3ccc4sc5ccc(-n6c7ccc(-c8cncc(-c9ccccc9)c8)cc7c7cc(-c8cncc(-c9ccccc9)c8)ccc76)cc5c4c3)c2)cc1.c1cnc2c(c1)c1cccc(-c3ncsc3-c3ncc[nH]3)c1n2-c1ccc2sc3ccc(-n4c5ncccc5c5cccc(-c6ncsc6-c6ncc[nH]6)c54)cc3c2c1.
What is the InChIKey of 9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole?
The InChIKey is BTICQKAWHUXEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50N6S.C61H58N6O8.C46H26N10S3/c1-5-13-51(14-6-1)59-33-63(47-81-43-59)55-21-27-75-69(37-55)70-38-56(64-34-60(44-82-48-64)52-15-7-2-8-16-52)22-28-76(70)85(75)67-25-31-79-73(41-67)74-42-68(26-32-80(74)87-79)86-77-29-23-57(65-35-61(45-83-49-65)53-17-9-3-10-18-53)39-71(77)72-40-58(24-30-78(72)86)66-36-62(46-84-50-66)54-19-11-4-12-20-54;1-11-68-50-23-19-46(72-50)40-29-64(30-41(40)47-20-24-51(73-47)69-12-2)58-34(5)27-36(7)60-54(58)56-44(17-15-38(9)62-56)66(60)33-67-45-18-16-39(10)63-57(45)55-59(35(6)28-37(8)61(55)67)65-31-42(48-21-25-52(74-48)70-13-3)43(32-65)49-22-26-53(75-49)71-14-4;1-5-27-29-9-3-15-51-45(29)55(39(27)31(7-1)37-41(57-23-53-37)43-47-17-18-48-43)25-11-13-35-33(21-25)34-22-26(12-14-36(34)59-35)56-40-28(30-10-4-16-52-46(30)56)6-2-8-32(40)38-42(58-24-54-38)44-49-19-20-50-44/h1-50H;15-32H,11-14,33H2,1-10H3;1-24H,(H,47,48)(H,49,50).
What are the key properties of 9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole?
9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole has a molecular weight of 2945.54 g/mol, XLogP of 48.50, 32 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-5-[[9-[3,4-bis(5-ethoxyfuran-2-yl)pyrrol-1-yl]-2,6,8-trimethylpyrido[3,2-b]indol-5-yl]methyl]-2,6,8-trimethylpyrido[3,2-b]indole;9-[8-[3,6-bis(5-phenyl-3-pyridinyl)carbazol-9-yl]dibenzothiophen-2-yl]-3,6-bis(5-phenyl-3-pyridinyl)carbazole;5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole is sourced from PubChem (CID 157455667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).