1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-[1-[(2,4-dimethylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(4-tert-butylphenyl)methyl]-4-[1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate

C150H166F6N12O4+12 — CID 160740089

About 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-[1-[(2,4-dimethylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(4-tert-butylphenyl)methyl]-4-[1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate

1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-[1-[(2,4-dimethylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(4-tert-butylphenyl)methyl]-4-[1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate (PubChem CID 160740089) has the molecular formula C150H166F6N12O4+12 and a molecular weight of 2315.05 g/mol. Its IUPAC name is 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-[1-[(2,4-dimethylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(4-tert-butylphenyl)methyl]-4-[1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate.

Molecular Properties

• Compound Name: 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-[1-[(2,4-dimethylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(4-tert-butylphenyl)methyl]-4-[1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate
• PubChem CID: 160740089
• Molecular Formula: C150H166F6N12O4+12
• Molecular Weight: 2315.05 g/mol
• Exact Mass: 2313.30
• IUPAC Name: 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-[1-[(2,4-dimethylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(4-tert-butylphenyl)methyl]-4-[1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate
• SMILES: CC(C)(C)c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.CCCCCCC[n+]1ccc(-c2cc[n+](CCCCCCC)cc2)cc1.CC[n+]1ccc(-c2cc[n+](CC)cc2)cc1.COC(=O)c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccc(C(=O)OC)cc4)cc3)cc2)cc1.Cc1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccc(C(F)(F)F)cc4C(F)(F)F)cc3)cc2)c(C)c1.c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C32H38N2.C28H24F6N2.C28H26N2O4.C24H22N2.C24H38N2.C14H18N2/c1-31(2,3)29-11-7-25(8-12-29)23-33-19-15-27(16-20-33)28-17-21-34(22-18-28)24-26-9-13-30(14-10-26)32(4,5)6;1-19-3-4-23(20(2)15-19)17-35-11-7-21(8-12-35)22-9-13-36(14-10-22)18-24-5-6-25(27(29,30)31)16-26(24)28(32,33)34;1-33-27(31)25-7-3-21(4-8-25)19-29-15-11-23(12-16-29)24-13-17-30(18-14-24)20-22-5-9-26(10-6-22)28(32)34-2;1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22;1-3-5-7-9-11-17-25-19-13-23(14-20-25)24-15-21-26(22-16-24)18-12-10-8-6-4-2;1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14/h7-22H,23-24H2,1-6H3;3-16H,17-18H2,1-2H3;3-18H,19-20H2,1-2H3;1-18H,19-20H2;13-16,19-22H,3-12,17-18H2,1-2H3;5-12H,3-4H2,1-2H3/q6*+2
• InChIKey: CWVSMVMNXYSLTJ-UHFFFAOYSA-N
• XLogP: 28.76
• TPSA: 99.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 38
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2315.05
LogP ≤ 5	28.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-[1-[(2,4-dimethylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(4-tert-butylphenyl)methyl]-4-[1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate?

The IUPAC name of 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-[1-[(2,4-dimethylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(4-tert-butylphenyl)methyl]-4-[1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate (CID 160740089) is 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-[1-[(2,4-dimethylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(4-tert-butylphenyl)methyl]-4-[1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate.

What is the SMILES notation for 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-[1-[(2,4-dimethylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(4-tert-butylphenyl)methyl]-4-[1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate?

The canonical SMILES for 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-[1-[(2,4-dimethylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(4-tert-butylphenyl)methyl]-4-[1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate is CC(C)(C)c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.CCCCCCC[n+]1ccc(-c2cc[n+](CCCCCCC)cc2)cc1.CC[n+]1ccc(-c2cc[n+](CC)cc2)cc1.COC(=O)c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccc(C(=O)OC)cc4)cc3)cc2)cc1.Cc1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccc(C(F)(F)F)cc4C(F)(F)F)cc3)cc2)c(C)c1.c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1.

What is the InChIKey of 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-[1-[(2,4-dimethylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(4-tert-butylphenyl)methyl]-4-[1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate?

The InChIKey is CWVSMVMNXYSLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2.C28H24F6N2.C28H26N2O4.C24H22N2.C24H38N2.C14H18N2/c1-31(2,3)29-11-7-25(8-12-29)23-33-19-15-27(16-20-33)28-17-21-34(22-18-28)24-26-9-13-30(14-10-26)32(4,5)6;1-19-3-4-23(20(2)15-19)17-35-11-7-21(8-12-35)22-9-13-36(14-10-22)18-24-5-6-25(27(29,30)31)16-26(24)28(32,33)34;1-33-27(31)25-7-3-21(4-8-25)19-29-15-11-23(12-16-29)24-13-17-30(18-14-24)20-22-5-9-26(10-6-22)28(32)34-2;1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22;1-3-5-7-9-11-17-25-19-13-23(14-20-25)24-15-21-26(22-16-24)18-12-10-8-6-4-2;1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14/h7-22H,23-24H2,1-6H3;3-16H,17-18H2,1-2H3;3-18H,19-20H2,1-2H3;1-18H,19-20H2;13-16,19-22H,3-12,17-18H2,1-2H3;5-12H,3-4H2,1-2H3/q6*+2.

What are the key properties of 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-[1-[(2,4-dimethylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(4-tert-butylphenyl)methyl]-4-[1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate?

1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-[1-[(2,4-dimethylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(4-tert-butylphenyl)methyl]-4-[1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate has a molecular weight of 2315.05 g/mol, XLogP of 28.76, 38 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-[1-[(2,4-dimethylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-[(4-tert-butylphenyl)methyl]-4-[1-[(4-tert-butylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate is sourced from PubChem (CID 160740089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).