1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride

C347H272Cl28N28O9 — CID 159489315

IUPAC1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride
SMILESCc1cc(-[n+]2ccc(-c3cc[n+](-c4ccccc4)cc3)cc2)ccc1CCc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccccc4)cc3)cc2)cc1C.Cc1cccc(-[n+]2ccc(-c3cc[n+](-c4ccc(Oc5ccc(-[n+]6ccc(-c7cc[n+](-c8cccc(C)c8)cc7)cc6)cc5)cc4)cc3)cc2)c1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(Oc5cccc(Oc6ccc(-[n+]7ccc(-c8cc[n+](-c9ccccc9)cc8)cc7)cc6)c5)cc4)cc3)cc2)cc1.c1ccc(-[n+]2ccc(-c3cc[n+](-c4cccc(Cc5cccc(-[n+]6ccc(-c7cc[n+](-c8ccccc8)cc7)cc6)c5)c4)cc3)cc2)cc1.c1ccc(-[n+]2ccc(-c3cc[n+](-c4cccc(Oc5cccc(Oc6cccc(-[n+]7ccc(-c8cc[n+](-c9ccccc9)cc8)cc7)c6)c5)c4)cc3)cc2)cc1.c1ccc(Oc2ccc(-[n+]3ccc(-c4cc[n+](-c5ccc(Oc6ccc(-[n+]7ccc(-c8cc[n+](-c9ccc(Oc%10ccccc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc2c(-[n+]3ccc(-c4cc[n+](-c5ccc(Oc6ccc(-[n+]7ccc(-c8cc[n+](-c9cccc%10ccccc9%10)cc8)cc7)cc6)cc5)cc4)cc3)cccc2c1
InChIInChI=1S/C56H42N4O3.C52H38N4O.2C50H38N4O2.C48H42N4.C46H38N4O.C45H36N4.28ClH/c1-3-7-51(8-4-1)61-53-19-11-47(12-20-53)57-35-27-43(28-36-57)45-31-39-59(40-32-45)49-15-23-55(24-16-49)63-56-25-17-50(18-26-56)60-41-33-46(34-42-60)44-29-37-58(38-30-44)48-13-21-54(22-14-48)62-52-9-5-2-6-10-52;1-3-11-49-43(7-1)9-5-13-51(49)55-35-27-41(28-36-55)39-23-31-53(32-24-39)45-15-19-47(20-16-45)57-48-21-17-46(18-22-48)54-33-25-40(26-34-54)42-29-37-56(38-30-42)52-14-6-10-44-8-2-4-12-50(44)52;1-3-10-43(11-4-1)51-28-20-39(21-29-51)41-24-32-53(33-25-41)45-14-7-16-47(36-45)55-49-18-9-19-50(38-49)56-48-17-8-15-46(37-48)54-34-26-42(27-35-54)40-22-30-52(31-23-40)44-12-5-2-6-13-44;1-3-8-43(9-4-1)51-30-22-39(23-31-51)41-26-34-53(35-27-41)45-14-18-47(19-15-45)55-49-12-7-13-50(38-49)56-48-20-16-46(17-21-48)54-36-28-42(29-37-54)40-24-32-52(33-25-40)44-10-5-2-6-11-44;1-37-35-47(51-31-23-43(24-32-51)41-19-27-49(28-20-41)45-9-5-3-6-10-45)17-15-39(37)13-14-40-16-18-48(36-38(40)2)52-33-25-44(26-34-52)42-21-29-50(30-22-42)46-11-7-4-8-12-46;1-35-5-3-7-43(33-35)49-29-21-39(22-30-49)37-17-25-47(26-18-37)41-9-13-45(14-10-41)51-46-15-11-42(12-16-46)48-27-19-38(20-28-48)40-23-31-50(32-24-40)44-8-4-6-36(2)34-44;1-3-11-42(12-4-1)46-25-17-38(18-26-46)40-21-29-48(30-22-40)44-15-7-9-36(34-44)33-37-10-8-16-45(35-37)49-31-23-41(24-32-49)39-19-27-47(28-20-39)43-13-5-2-6-14-43;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-42H;1-38H;2*1-38H;3-12,15-36H,13-14H2,1-2H3;3-34H,1-2H3;1-32,34-35H,33H2;28*1H/q7*+4;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-28
InChIKeyUMGHFLIYIVCASD-UHFFFAOYSA-A
MW5970.86 g/mol
LogP-17.95
Rot. Bonds65

About 1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride

1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride (PubChem CID 159489315) has the molecular formula C347H272Cl28N28O9 and a molecular weight of 5970.86 g/mol. Its IUPAC name is 1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride.

Molecular Properties

Compound Name1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride
PubChem CID159489315
Molecular FormulaC347H272Cl28N28O9
Molecular Weight5970.86 g/mol
Exact Mass5953.30
IUPAC Name1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride
SMILESCc1cc(-[n+]2ccc(-c3cc[n+](-c4ccccc4)cc3)cc2)ccc1CCc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccccc4)cc3)cc2)cc1C.Cc1cccc(-[n+]2ccc(-c3cc[n+](-c4ccc(Oc5ccc(-[n+]6ccc(-c7cc[n+](-c8cccc(C)c8)cc7)cc6)cc5)cc4)cc3)cc2)c1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(Oc5cccc(Oc6ccc(-[n+]7ccc(-c8cc[n+](-c9ccccc9)cc8)cc7)cc6)c5)cc4)cc3)cc2)cc1.c1ccc(-[n+]2ccc(-c3cc[n+](-c4cccc(Cc5cccc(-[n+]6ccc(-c7cc[n+](-c8ccccc8)cc7)cc6)c5)c4)cc3)cc2)cc1.c1ccc(-[n+]2ccc(-c3cc[n+](-c4cccc(Oc5cccc(Oc6cccc(-[n+]7ccc(-c8cc[n+](-c9ccccc9)cc8)cc7)c6)c5)c4)cc3)cc2)cc1.c1ccc(Oc2ccc(-[n+]3ccc(-c4cc[n+](-c5ccc(Oc6ccc(-[n+]7ccc(-c8cc[n+](-c9ccc(Oc%10ccccc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc2c(-[n+]3ccc(-c4cc[n+](-c5ccc(Oc6ccc(-[n+]7ccc(-c8cc[n+](-c9cccc%10ccccc9%10)cc8)cc7)cc6)cc5)cc4)cc3)cccc2c1
InChIInChI=1S/C56H42N4O3.C52H38N4O.2C50H38N4O2.C48H42N4.C46H38N4O.C45H36N4.28ClH/c1-3-7-51(8-4-1)61-53-19-11-47(12-20-53)57-35-27-43(28-36-57)45-31-39-59(40-32-45)49-15-23-55(24-16-49)63-56-25-17-50(18-26-56)60-41-33-46(34-42-60)44-29-37-58(38-30-44)48-13-21-54(22-14-48)62-52-9-5-2-6-10-52;1-3-11-49-43(7-1)9-5-13-51(49)55-35-27-41(28-36-55)39-23-31-53(32-24-39)45-15-19-47(20-16-45)57-48-21-17-46(18-22-48)54-33-25-40(26-34-54)42-29-37-56(38-30-42)52-14-6-10-44-8-2-4-12-50(44)52;1-3-10-43(11-4-1)51-28-20-39(21-29-51)41-24-32-53(33-25-41)45-14-7-16-47(36-45)55-49-18-9-19-50(38-49)56-48-17-8-15-46(37-48)54-34-26-42(27-35-54)40-22-30-52(31-23-40)44-12-5-2-6-13-44;1-3-8-43(9-4-1)51-30-22-39(23-31-51)41-26-34-53(35-27-41)45-14-18-47(19-15-45)55-49-12-7-13-50(38-49)56-48-20-16-46(17-21-48)54-36-28-42(29-37-54)40-24-32-52(33-25-40)44-10-5-2-6-11-44;1-37-35-47(51-31-23-43(24-32-51)41-19-27-49(28-20-41)45-9-5-3-6-10-45)17-15-39(37)13-14-40-16-18-48(36-38(40)2)52-33-25-44(26-34-52)42-21-29-50(30-22-42)46-11-7-4-8-12-46;1-35-5-3-7-43(33-35)49-29-21-39(22-30-49)37-17-25-47(26-18-37)41-9-13-45(14-10-41)51-46-15-11-42(12-16-46)48-27-19-38(20-28-48)40-23-31-50(32-24-40)44-8-4-6-36(2)34-44;1-3-11-42(12-4-1)46-25-17-38(18-26-46)40-21-29-48(30-22-40)44-15-7-9-36(34-44)33-37-10-8-16-45(35-37)49-31-23-41(24-32-49)39-19-27-47(28-20-39)43-13-5-2-6-14-43;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-42H;1-38H;2*1-38H;3-12,15-36H,13-14H2,1-2H3;3-34H,1-2H3;1-32,34-35H,33H2;28*1H/q7*+4;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-28
InChIKeyUMGHFLIYIVCASD-UHFFFAOYSA-A
XLogP-17.95
TPSA191.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds65
Heavy Atoms412
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5005970.86
LogP ≤ 5-17.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride?
The IUPAC name of 1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride (CID 159489315) is 1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride.
What is the SMILES notation for 1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride?
The canonical SMILES for 1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride is Cc1cc(-[n+]2ccc(-c3cc[n+](-c4ccccc4)cc3)cc2)ccc1CCc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccccc4)cc3)cc2)cc1C.Cc1cccc(-[n+]2ccc(-c3cc[n+](-c4ccc(Oc5ccc(-[n+]6ccc(-c7cc[n+](-c8cccc(C)c8)cc7)cc6)cc5)cc4)cc3)cc2)c1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(Oc5cccc(Oc6ccc(-[n+]7ccc(-c8cc[n+](-c9ccccc9)cc8)cc7)cc6)c5)cc4)cc3)cc2)cc1.c1ccc(-[n+]2ccc(-c3cc[n+](-c4cccc(Cc5cccc(-[n+]6ccc(-c7cc[n+](-c8ccccc8)cc7)cc6)c5)c4)cc3)cc2)cc1.c1ccc(-[n+]2ccc(-c3cc[n+](-c4cccc(Oc5cccc(Oc6cccc(-[n+]7ccc(-c8cc[n+](-c9ccccc9)cc8)cc7)c6)c5)c4)cc3)cc2)cc1.c1ccc(Oc2ccc(-[n+]3ccc(-c4cc[n+](-c5ccc(Oc6ccc(-[n+]7ccc(-c8cc[n+](-c9ccc(Oc%10ccccc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc2c(-[n+]3ccc(-c4cc[n+](-c5ccc(Oc6ccc(-[n+]7ccc(-c8cc[n+](-c9cccc%10ccccc9%10)cc8)cc7)cc6)cc5)cc4)cc3)cccc2c1.
What is the InChIKey of 1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride?
The InChIKey is UMGHFLIYIVCASD-UHFFFAOYSA-A. The full InChI is InChI=1S/C56H42N4O3.C52H38N4O.2C50H38N4O2.C48H42N4.C46H38N4O.C45H36N4.28ClH/c1-3-7-51(8-4-1)61-53-19-11-47(12-20-53)57-35-27-43(28-36-57)45-31-39-59(40-32-45)49-15-23-55(24-16-49)63-56-25-17-50(18-26-56)60-41-33-46(34-42-60)44-29-37-58(38-30-44)48-13-21-54(22-14-48)62-52-9-5-2-6-10-52;1-3-11-49-43(7-1)9-5-13-51(49)55-35-27-41(28-36-55)39-23-31-53(32-24-39)45-15-19-47(20-16-45)57-48-21-17-46(18-22-48)54-33-25-40(26-34-54)42-29-37-56(38-30-42)52-14-6-10-44-8-2-4-12-50(44)52;1-3-10-43(11-4-1)51-28-20-39(21-29-51)41-24-32-53(33-25-41)45-14-7-16-47(36-45)55-49-18-9-19-50(38-49)56-48-17-8-15-46(37-48)54-34-26-42(27-35-54)40-22-30-52(31-23-40)44-12-5-2-6-13-44;1-3-8-43(9-4-1)51-30-22-39(23-31-51)41-26-34-53(35-27-41)45-14-18-47(19-15-45)55-49-12-7-13-50(38-49)56-48-20-16-46(17-21-48)54-36-28-42(29-37-54)40-24-32-52(33-25-40)44-10-5-2-6-11-44;1-37-35-47(51-31-23-43(24-32-51)41-19-27-49(28-20-41)45-9-5-3-6-10-45)17-15-39(37)13-14-40-16-18-48(36-38(40)2)52-33-25-44(26-34-52)42-21-29-50(30-22-42)46-11-7-4-8-12-46;1-35-5-3-7-43(33-35)49-29-21-39(22-30-49)37-17-25-47(26-18-37)41-9-13-45(14-10-41)51-46-15-11-42(12-16-46)48-27-19-38(20-28-48)40-23-31-50(32-24-40)44-8-4-6-36(2)34-44;1-3-11-42(12-4-1)46-25-17-38(18-26-46)40-21-29-48(30-22-40)44-15-7-9-36(34-44)33-37-10-8-16-45(35-37)49-31-23-41(24-32-49)39-19-27-47(28-20-39)43-13-5-2-6-14-43;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-42H;1-38H;2*1-38H;3-12,15-36H,13-14H2,1-2H3;3-34H,1-2H3;1-32,34-35H,33H2;28*1H/q7*+4;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-28.
What are the key properties of 1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride?
1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride has a molecular weight of 5970.86 g/mol, XLogP of -17.95, 65 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-[2-[2-methyl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]ethyl]phenyl]-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-(3-methylphenyl)-4-[1-[4-[4-[4-[1-(3-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-phenoxyphenyl)-4-[1-[4-[4-[4-[1-(4-phenoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[3-[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[4-[3-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;octacosachloride is sourced from PubChem (CID 159489315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).