1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium

C150H131F5N12O10+12 — CID 158552647

About 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium

1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium (PubChem CID 158552647) has the molecular formula C150H131F5N12O10+12 and a molecular weight of 2356.76 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium
• PubChem CID: 158552647
• Molecular Formula: C150H131F5N12O10+12
• Molecular Weight: 2356.76 g/mol
• Exact Mass: 2355.00
• IUPAC Name: 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium
• SMILES: COC(=O)c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccc(C(=O)OC)cc4)c(F)c3)cc2)cc1.COC(=O)c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccc(C(=O)OC)cc4)cc3F)cc2)cc1.COc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(OC)cc4)cc3)cc2)cc1.Cc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(C(F)(F)F)cc4)cc3)cc2)cc1.Cc1ccccc1-[n+]1ccc(-c2cc[n+](-c3ccccc3C)cc2)cc1.c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/2C28H25FN2O4.C24H19F3N2.C24H22N2O2.C24H22N2.C22H18N2/c1-34-27(32)23-7-3-20(4-8-23)18-30-14-11-22(12-15-30)25-13-16-31(26(29)17-25)19-21-5-9-24(10-6-21)28(33)35-2;1-34-27(32)23-7-3-20(4-8-23)17-30-14-11-22(12-15-30)25-13-16-31(19-26(25)29)18-21-5-9-24(10-6-21)28(33)35-2;1-18-2-6-22(7-3-18)28-14-10-19(11-15-28)20-12-16-29(17-13-20)23-8-4-21(5-9-23)24(25,26)27;1-27-23-7-3-21(4-8-23)25-15-11-19(12-16-25)20-13-17-26(18-14-20)22-5-9-24(28-2)10-6-22;1-19-7-3-5-9-23(19)25-15-11-21(12-16-25)22-13-17-26(18-14-22)24-10-6-4-8-20(24)2;1-3-7-21(8-4-1)23-15-11-19(12-16-23)20-13-17-24(18-14-20)22-9-5-2-6-10-22/h3-17H,18-19H2,1-2H3;3-16,19H,17-18H2,1-2H3;2-17H,1H3;3-18H,1-2H3;3-18H,1-2H3;1-18H/q6*+2
• InChIKey: HPXJLEUJPOOKJO-UHFFFAOYSA-N
• XLogP: 25.06
• TPSA: 170.22 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 28
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2356.76
LogP ≤ 5	25.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium?

The IUPAC name of 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium (CID 158552647) is 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium.

What is the SMILES notation for 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium?

The canonical SMILES for 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium is COC(=O)c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccc(C(=O)OC)cc4)c(F)c3)cc2)cc1.COC(=O)c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccc(C(=O)OC)cc4)cc3F)cc2)cc1.COc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(OC)cc4)cc3)cc2)cc1.Cc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(C(F)(F)F)cc4)cc3)cc2)cc1.Cc1ccccc1-[n+]1ccc(-c2cc[n+](-c3ccccc3C)cc2)cc1.c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium?

The InChIKey is HPXJLEUJPOOKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H25FN2O4.C24H19F3N2.C24H22N2O2.C24H22N2.C22H18N2/c1-34-27(32)23-7-3-20(4-8-23)18-30-14-11-22(12-15-30)25-13-16-31(26(29)17-25)19-21-5-9-24(10-6-21)28(33)35-2;1-34-27(32)23-7-3-20(4-8-23)17-30-14-11-22(12-15-30)25-13-16-31(19-26(25)29)18-21-5-9-24(10-6-21)28(33)35-2;1-18-2-6-22(7-3-18)28-14-10-19(11-15-28)20-12-16-29(17-13-20)23-8-4-21(5-9-23)24(25,26)27;1-27-23-7-3-21(4-8-23)25-15-11-19(12-16-25)20-13-17-26(18-14-20)22-5-9-24(28-2)10-6-22;1-19-7-3-5-9-23(19)25-15-11-21(12-16-25)22-13-17-26(18-14-22)24-10-6-4-8-20(24)2;1-3-7-21(8-4-1)23-15-11-19(12-16-23)20-13-17-24(18-14-20)22-9-5-2-6-10-22/h3-17H,18-19H2,1-2H3;3-16,19H,17-18H2,1-2H3;2-17H,1H3;3-18H,1-2H3;3-18H,1-2H3;1-18H/q6*+2.

What are the key properties of 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium?

1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium has a molecular weight of 2356.76 g/mol, XLogP of 25.06, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-4-[1-(4-methoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;1-(2-methylphenyl)-4-[1-(2-methylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium;1-(4-methylphenyl)-4-[1-[4-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium is sourced from PubChem (CID 158552647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).