benzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium

C215H193N32O2S2+23 — CID 158458446

IUPACbenzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium
SMILESCOc1cc(-n2cc[n+](Cc3ccccc3)c2)cc(-[n+]2ccc(-c3cc[n+](-c4cc(OC)cc(-n5cc[n+](Cc6ccccc6)c5)c4)cc3)cc2)c1.C[N+](C)(Cc1ccccc1)c1cccc(-[n+]2ccc(-c3cc[n+](-c4cccc([N+](C)(C)Cc5ccccc5)c4)cc3)cc2)c1.C[n+]1c(-c2cccc(-[n+]3ccc(-c4cc[n+](-c5cccc(-c6sc7ccccc7[n+]6C)c5)cc4)cc3)c2)sc2ccccc21.C[n+]1ccn(-c2ccc(-[n+]3ccc(-c4cc[n+](-c5ccc(-[n+]6cc[nH]c6)cc5)cc4)cc3)cc2)c1.C[n+]1ccn(-c2ccc(-[n+]3ccc(-c4cc[n+](-c5ccc(-n6ccnc6)cc5)cc4)cc3)cc2)c1.c1ccc(C[n+]2ccn(-c3ccc(-[n+]4ccc(-c5cc[n+](-c6ccc(-[n+]7cc[nH]c7)cc6)cc5)cc4)cc3)c2)cc1
InChIInChI=1S/C44H40N6O2.C40H42N4.C38H30N4S2.C35H29N6.2C29H25N6/c1-51-43-27-39(25-41(29-43)49-23-21-45(33-49)31-35-9-5-3-6-10-35)47-17-13-37(14-18-47)38-15-19-48(20-16-38)40-26-42(30-44(28-40)52-2)50-24-22-46(34-50)32-36-11-7-4-8-12-36;1-43(2,31-33-13-7-5-8-14-33)39-19-11-17-37(29-39)41-25-21-35(22-26-41)36-23-27-42(28-24-36)38-18-12-20-40(30-38)44(3,4)32-34-15-9-6-10-16-34;1-39-33-13-3-5-15-35(33)43-37(39)29-9-7-11-31(25-29)41-21-17-27(18-22-41)28-19-23-42(24-20-28)32-12-8-10-30(26-32)38-40(2)34-14-4-6-16-36(34)44-38;1-2-4-29(5-3-1)26-37-24-25-41(28-37)35-12-8-33(9-13-35)39-21-16-31(17-22-39)30-14-19-38(20-15-30)32-6-10-34(11-7-32)40-23-18-36-27-40;2*1-31-20-21-35(23-31)29-8-4-27(5-9-29)33-17-12-25(13-18-33)24-10-15-32(16-11-24)26-2-6-28(7-3-26)34-19-14-30-22-34/h3-30,33-34H,31-32H2,1-2H3;5-30H,31-32H2,1-4H3;3-26H,1-2H3;1-25,27-28H,26H2;2*2-23H,1H3/q3*+4;3*+3/p+2
InChIKeyXNFRWVZHSAIBKI-UHFFFAOYSA-P
MW3321.26 g/mol
LogP32.41
Rot. Bonds42

About benzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium

benzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium (PubChem CID 158458446) has the molecular formula C215H193N32O2S2+23 and a molecular weight of 3321.26 g/mol. Its IUPAC name is benzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium.

Molecular Properties

Compound Namebenzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium
PubChem CID158458446
Molecular FormulaC215H193N32O2S2+23
Molecular Weight3321.26 g/mol
Exact Mass3318.53
IUPAC Namebenzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium
SMILESCOc1cc(-n2cc[n+](Cc3ccccc3)c2)cc(-[n+]2ccc(-c3cc[n+](-c4cc(OC)cc(-n5cc[n+](Cc6ccccc6)c5)c4)cc3)cc2)c1.C[N+](C)(Cc1ccccc1)c1cccc(-[n+]2ccc(-c3cc[n+](-c4cccc([N+](C)(C)Cc5ccccc5)c4)cc3)cc2)c1.C[n+]1c(-c2cccc(-[n+]3ccc(-c4cc[n+](-c5cccc(-c6sc7ccccc7[n+]6C)c5)cc4)cc3)c2)sc2ccccc21.C[n+]1ccn(-c2ccc(-[n+]3ccc(-c4cc[n+](-c5ccc(-[n+]6cc[nH]c6)cc5)cc4)cc3)cc2)c1.C[n+]1ccn(-c2ccc(-[n+]3ccc(-c4cc[n+](-c5ccc(-n6ccnc6)cc5)cc4)cc3)cc2)c1.c1ccc(C[n+]2ccn(-c3ccc(-[n+]4ccc(-c5cc[n+](-c6ccc(-[n+]7cc[nH]c7)cc6)cc5)cc4)cc3)c2)cc1
InChIInChI=1S/C44H40N6O2.C40H42N4.C38H30N4S2.C35H29N6.2C29H25N6/c1-51-43-27-39(25-41(29-43)49-23-21-45(33-49)31-35-9-5-3-6-10-35)47-17-13-37(14-18-47)38-15-19-48(20-16-38)40-26-42(30-44(28-40)52-2)50-24-22-46(34-50)32-36-11-7-4-8-12-36;1-43(2,31-33-13-7-5-8-14-33)39-19-11-17-37(29-39)41-25-21-35(22-26-41)36-23-27-42(28-24-36)38-18-12-20-40(30-38)44(3,4)32-34-15-9-6-10-16-34;1-39-33-13-3-5-15-35(33)43-37(39)29-9-7-11-31(25-29)41-21-17-27(18-22-41)28-19-23-42(24-20-28)32-12-8-10-30(26-32)38-40(2)34-14-4-6-16-36(34)44-38;1-2-4-29(5-3-1)26-37-24-25-41(28-37)35-12-8-33(9-13-35)39-21-16-31(17-22-39)30-14-19-38(20-15-30)32-6-10-34(11-7-32)40-23-18-36-27-40;2*1-31-20-21-35(23-31)29-8-4-27(5-9-29)33-17-12-25(13-18-33)24-10-15-32(16-11-24)26-2-6-28(7-3-26)34-19-14-30-22-34/h3-30,33-34H,31-32H2,1-2H3;5-30H,31-32H2,1-4H3;3-26H,1-2H3;1-25,27-28H,26H2;2*2-23H,1H3/q3*+4;3*+3/p+2
InChIKeyXNFRWVZHSAIBKI-UHFFFAOYSA-P
XLogP32.41
TPSA173.99 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds42
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003321.26
LogP ≤ 532.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze benzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium with MolForge

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Launch Full Analysis

Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3,4-dimethoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-fluoro-4-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-methylphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-2-(trifluoromethyl)-3H-benzimidazol-5-amine
CID 157971793
2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole;2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole;5-(1H-imidazol-2-yl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole;4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine
CID 158377509
N-[3-[2-(dimethylamino)ethoxy]phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-6-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-8-amine;3-(1-methylpyrazol-4-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 157166011
2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol;2-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-2-amine;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-amine;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol
CID 157600867
2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol;2-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol;N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)pyridin-2-amine;5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;2-(2-methoxypyrimidin-5-yl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-amine;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol
CID 157608996
8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)phenyl]morpholine;4-[5-(9-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine
CID 157622751
N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(1H-indol-5-yl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-naphthalen-1-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(6-phenyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;3-[[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenoxy]methyl]benzonitrile
CID 157714117
N-[3-(3-imidazol-1-ylpropoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[3-(4-methylimidazol-1-yl)propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-(3-morpholin-4-ylpropyl)-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;N-[3-(3-piperazin-1-ylpropoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 157841350
1-(1,3-benzothiazol-2-yl)-3-N-[4-(diethylamino)phenyl]-1,2,4-triazole-3,5-diamine;3-N-(3,4-dimethoxyphenyl)-1-(4-piperidin-1-ylpyrimidin-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(1H-indazol-5-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 158335782
[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine;[6-(5-fluoro-1,3-benzothiazol-2-yl)-3-pyridinyl]methanamine;2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;2-(6-fluoro-3-pyridinyl)-5-methoxy-1,3-benzothiazole;5-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine;4-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carbonitrile;5-methoxy-2-(6-methyl-2-pyridinyl)-1,3-benzothiazole;2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-5-ol
CID 158582500
8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)phenyl]morpholine;4-[5-(9-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine
CID 158808963
6,7-dimethyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzonitrile;6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)-8H-imidazo[4,5-e][1,3]benzothiazol-6-ium-2-amine
CID 158927092

Frequently Asked Questions

What is the IUPAC name of benzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium?
The IUPAC name of benzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium (CID 158458446) is benzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium.
What is the SMILES notation for benzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium?
The canonical SMILES for benzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium is COc1cc(-n2cc[n+](Cc3ccccc3)c2)cc(-[n+]2ccc(-c3cc[n+](-c4cc(OC)cc(-n5cc[n+](Cc6ccccc6)c5)c4)cc3)cc2)c1.C[N+](C)(Cc1ccccc1)c1cccc(-[n+]2ccc(-c3cc[n+](-c4cccc([N+](C)(C)Cc5ccccc5)c4)cc3)cc2)c1.C[n+]1c(-c2cccc(-[n+]3ccc(-c4cc[n+](-c5cccc(-c6sc7ccccc7[n+]6C)c5)cc4)cc3)c2)sc2ccccc21.C[n+]1ccn(-c2ccc(-[n+]3ccc(-c4cc[n+](-c5ccc(-[n+]6cc[nH]c6)cc5)cc4)cc3)cc2)c1.C[n+]1ccn(-c2ccc(-[n+]3ccc(-c4cc[n+](-c5ccc(-n6ccnc6)cc5)cc4)cc3)cc2)c1.c1ccc(C[n+]2ccn(-c3ccc(-[n+]4ccc(-c5cc[n+](-c6ccc(-[n+]7cc[nH]c7)cc6)cc5)cc4)cc3)c2)cc1.
What is the InChIKey of benzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium?
The InChIKey is XNFRWVZHSAIBKI-UHFFFAOYSA-P. The full InChI is InChI=1S/C44H40N6O2.C40H42N4.C38H30N4S2.C35H29N6.2C29H25N6/c1-51-43-27-39(25-41(29-43)49-23-21-45(33-49)31-35-9-5-3-6-10-35)47-17-13-37(14-18-47)38-15-19-48(20-16-38)40-26-42(30-44(28-40)52-2)50-24-22-46(34-50)32-36-11-7-4-8-12-36;1-43(2,31-33-13-7-5-8-14-33)39-19-11-17-37(29-39)41-25-21-35(22-26-41)36-23-27-42(28-24-36)38-18-12-20-40(30-38)44(3,4)32-34-15-9-6-10-16-34;1-39-33-13-3-5-15-35(33)43-37(39)29-9-7-11-31(25-29)41-21-17-27(18-22-41)28-19-23-42(24-20-28)32-12-8-10-30(26-32)38-40(2)34-14-4-6-16-36(34)44-38;1-2-4-29(5-3-1)26-37-24-25-41(28-37)35-12-8-33(9-13-35)39-21-16-31(17-22-39)30-14-19-38(20-15-30)32-6-10-34(11-7-32)40-23-18-36-27-40;2*1-31-20-21-35(23-31)29-8-4-27(5-9-29)33-17-12-25(13-18-33)24-10-15-32(16-11-24)26-2-6-28(7-3-26)34-19-14-30-22-34/h3-30,33-34H,31-32H2,1-2H3;5-30H,31-32H2,1-4H3;3-26H,1-2H3;1-25,27-28H,26H2;2*2-23H,1H3/q3*+4;3*+3/p+2.
What are the key properties of benzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium?
benzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium has a molecular weight of 3321.26 g/mol, XLogP of 32.41, 42 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[3-[4-[1-[3-[benzyl(dimethyl)azaniumyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-dimethylazanium;1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]-4-[1-[3-(3-benzylimidazol-3-ium-1-yl)-5-methoxyphenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]-4-[1-[4-(1H-imidazol-3-ium-3-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[4-(1H-imidazol-3-ium-3-yl)phenyl]-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-imidazol-1-ylphenyl)-4-[1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;3-methyl-2-[3-[4-[1-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-1,3-benzothiazol-3-ium is sourced from PubChem (CID 158458446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).