1-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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

C171H179F3N16O4+16 — CID 159204258

IUPAC1-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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
SMILESCCCCCCC[n+]1ccc(-c2cc[n+](-c3ccccc3)cc2)cc1.CCCCCCC[n+]1ccc(-c2cc[n+](CCC[n+]3ccc(-c4cc[n+](CCCCCCC)cc4)cc3)cc2)cc1.COC(=O)c1ccc(C[n+]2ccc(-c3cc[n+](CCC[n+]4ccc(-c5cc[n+](Cc6ccc(C(=O)OC)cc6)cc5)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
InChIInChI=1S/C41H40N4O4.C37H52N4.C24H19F3N2.C24H22N2.C23H28N2.C22H18N2/c1-48-40(46)38-8-4-32(5-9-38)30-44-26-16-36(17-27-44)34-12-22-42(23-13-34)20-3-21-43-24-14-35(15-25-43)37-18-28-45(29-19-37)31-33-6-10-39(11-7-33)41(47)49-2;1-3-5-7-9-11-22-38-26-14-34(15-27-38)36-18-30-40(31-19-36)24-13-25-41-32-20-37(21-33-41)35-16-28-39(29-17-35)23-12-10-8-6-4-2;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;1-19-7-3-5-9-23(19)25-15-11-21(12-16-25)22-13-17-26(18-14-22)24-10-6-4-8-20(24)2;1-2-3-4-5-9-16-24-17-12-21(13-18-24)22-14-19-25(20-15-22)23-10-7-6-8-11-23;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/h4-19,22-29H,3,20-21,30-31H2,1-2H3;14-21,26-33H,3-13,22-25H2,1-2H3;2-17H,1H3;3-18H,1-2H3;6-8,10-15,17-20H,2-5,9,16H2,1H3;1-18H/q2*+4;4*+2
InChIKeyMTINRRBQJPJVKK-UHFFFAOYSA-N
MW2579.41 g/mol
LogP30.69
Rot. Bonds47

About 1-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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 159204258) has the molecular formula C171H179F3N16O4+16 and a molecular weight of 2579.41 g/mol. Its IUPAC name is 1-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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 Name1-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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 CID159204258
Molecular FormulaC171H179F3N16O4+16
Molecular Weight2579.41 g/mol
Exact Mass2577.42
IUPAC Name1-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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
SMILESCCCCCCC[n+]1ccc(-c2cc[n+](-c3ccccc3)cc2)cc1.CCCCCCC[n+]1ccc(-c2cc[n+](CCC[n+]3ccc(-c4cc[n+](CCCCCCC)cc4)cc3)cc2)cc1.COC(=O)c1ccc(C[n+]2ccc(-c3cc[n+](CCC[n+]4ccc(-c5cc[n+](Cc6ccc(C(=O)OC)cc6)cc5)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
InChIInChI=1S/C41H40N4O4.C37H52N4.C24H19F3N2.C24H22N2.C23H28N2.C22H18N2/c1-48-40(46)38-8-4-32(5-9-38)30-44-26-16-36(17-27-44)34-12-22-42(23-13-34)20-3-21-43-24-14-35(15-25-43)37-18-28-45(29-19-37)31-33-6-10-39(11-7-33)41(47)49-2;1-3-5-7-9-11-22-38-26-14-34(15-27-38)36-18-30-40(31-19-36)24-13-25-41-32-20-37(21-33-41)35-16-28-39(29-17-35)23-12-10-8-6-4-2;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;1-19-7-3-5-9-23(19)25-15-11-21(12-16-25)22-13-17-26(18-14-22)24-10-6-4-8-20(24)2;1-2-3-4-5-9-16-24-17-12-21(13-18-24)22-14-19-25(20-15-22)23-10-7-6-8-11-23;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/h4-19,22-29H,3,20-21,30-31H2,1-2H3;14-21,26-33H,3-13,22-25H2,1-2H3;2-17H,1H3;3-18H,1-2H3;6-8,10-15,17-20H,2-5,9,16H2,1H3;1-18H/q2*+4;4*+2
InChIKeyMTINRRBQJPJVKK-UHFFFAOYSA-N
XLogP30.69
TPSA114.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds47
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002579.41
LogP ≤ 530.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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 with MolForge

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

Launch Full Analysis

Related Compounds

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Methyl 4-[[4-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate
CID 129061312
Methyl 4-[[4-[2-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate
CID 134274018
Methyl 4-[[4-[3-fluoro-1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate
CID 134274020
1-Benzyl-4-[1-[(4-isocyanophenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;4-[[4-[1-[(4-isocyanophenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzonitrile;methyl 4-[[4-[1-[(4-isocyanophenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 3-[[4-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate
CID 158379438
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
Methyl 4-[[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[1-[(3,5-ditert-butylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 3-[[4-[1-[(3-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate;methyl 4-[[4-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoate
CID 159260877
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
Methyl 4-[24,26,37,39-tetrafluoro-11-(4-methoxycarbonylphenyl)-5,31-bis(trifluoromethyl)-7,9,20,33-tetrazoniaheptacyclo[33.4.0.02,7.09,14.015,20.022,27.028,33]nonatriaconta-1(35),2(7),3,5,9(14),10,12,15(20),16,18,22(27),23,25,28(33),29,31,36,38-octadecaen-18-yl]benzoate
CID 170396451
Methyl 4-[6-[1-[[2-(2,4-difluoro-6-methylphenyl)-5-(trifluoromethyl)pyridin-1-ium-1-yl]methyl]-5-(4-methoxycarbonylphenyl)pyridin-1-ium-2-yl]-1-[[3,5-difluoro-2-[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]phenyl]methyl]pyridin-1-ium-3-yl]benzoate
CID 170396482
Methyl 2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzoate
CID 174214827
methyl 4-[4-[(E)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethenyl]-N-(4-methoxycarbonylphenyl)anilino]benzoate
CID 102490181

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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 159204258) is 1-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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 CCCCCCC[n+]1ccc(-c2cc[n+](-c3ccccc3)cc2)cc1.CCCCCCC[n+]1ccc(-c2cc[n+](CCC[n+]3ccc(-c4cc[n+](CCCCCCC)cc4)cc3)cc2)cc1.COC(=O)c1ccc(C[n+]2ccc(-c3cc[n+](CCC[n+]4ccc(-c5cc[n+](Cc6ccc(C(=O)OC)cc6)cc5)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-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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 MTINRRBQJPJVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40N4O4.C37H52N4.C24H19F3N2.C24H22N2.C23H28N2.C22H18N2/c1-48-40(46)38-8-4-32(5-9-38)30-44-26-16-36(17-27-44)34-12-22-42(23-13-34)20-3-21-43-24-14-35(15-25-43)37-18-28-45(29-19-37)31-33-6-10-39(11-7-33)41(47)49-2;1-3-5-7-9-11-22-38-26-14-34(15-27-38)36-18-30-40(31-19-36)24-13-25-41-32-20-37(21-33-41)35-16-28-39(29-17-35)23-12-10-8-6-4-2;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;1-19-7-3-5-9-23(19)25-15-11-21(12-16-25)22-13-17-26(18-14-22)24-10-6-4-8-20(24)2;1-2-3-4-5-9-16-24-17-12-21(13-18-24)22-14-19-25(20-15-22)23-10-7-6-8-11-23;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/h4-19,22-29H,3,20-21,30-31H2,1-2H3;14-21,26-33H,3-13,22-25H2,1-2H3;2-17H,1H3;3-18H,1-2H3;6-8,10-15,17-20H,2-5,9,16H2,1H3;1-18H/q2*+4;4*+2.
What are the key properties of 1-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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 2579.41 g/mol, XLogP of 30.69, 47 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-4-[1-[3-[4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium;1-heptyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;methyl 4-[[4-[1-[3-[4-[1-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]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 159204258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).