1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium

C139H152B6F30N12+6 — CID 161136513

IUPAC1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium
SMILESC.C.C.C.C.C.CCC[n+]1ccc(-c2cc[n+](C)cc2)cc1.CCC[n+]1ccc(-c2cc[n+](CCC)cc2)cc1.CC[n+]1ccc(-c2cc[n+](CC)cc2)cc1.C[n+]1ccc(-c2cc[n+](-c3ccccc3)cc2)cc1.C[n+]1ccc(-c2cc[n+](C)cc2)cc1.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H22N2.C17H16N2.C16H22N2.2C14H18N2.C12H14N2.6C6H3BF5.6CH4/c1-3-7-21(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;1-18-11-7-15(8-12-18)16-9-13-19(14-10-16)17-5-3-2-4-6-17;1-3-9-17-11-5-15(6-12-17)16-7-13-18(10-4-2)14-8-16;1-3-8-16-11-6-14(7-12-16)13-4-9-15(2)10-5-13;1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14;1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;6*7-1-2(8)4(10)6(12)5(11)3(1)9;;;;;;/h1-18H,19-20H2;2-14H,1H3;5-8,11-14H,3-4,9-10H2,1-2H3;4-7,9-12H,3,8H2,1-2H3;5-12H,3-4H2,1-2H3;3-10H,1-2H3;6*7H3;6*1H4/q6*+2;6*-1;;;;;;
InChIKeyUMWIMXNVTYWISQ-UHFFFAOYSA-N
MW2625.64 g/mol
LogP20.13
Rot. Bonds19

About 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium

1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium (PubChem CID 161136513) has the molecular formula C139H152B6F30N12+6 and a molecular weight of 2625.64 g/mol. Its IUPAC name is 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium
PubChem CID161136513
Molecular FormulaC139H152B6F30N12+6
Molecular Weight2625.64 g/mol
Exact Mass2625.23
IUPAC Name1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium
SMILESC.C.C.C.C.C.CCC[n+]1ccc(-c2cc[n+](C)cc2)cc1.CCC[n+]1ccc(-c2cc[n+](CCC)cc2)cc1.CC[n+]1ccc(-c2cc[n+](CC)cc2)cc1.C[n+]1ccc(-c2cc[n+](-c3ccccc3)cc2)cc1.C[n+]1ccc(-c2cc[n+](C)cc2)cc1.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H22N2.C17H16N2.C16H22N2.2C14H18N2.C12H14N2.6C6H3BF5.6CH4/c1-3-7-21(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;1-18-11-7-15(8-12-18)16-9-13-19(14-10-16)17-5-3-2-4-6-17;1-3-9-17-11-5-15(6-12-17)16-7-13-18(10-4-2)14-8-16;1-3-8-16-11-6-14(7-12-16)13-4-9-15(2)10-5-13;1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14;1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;6*7-1-2(8)4(10)6(12)5(11)3(1)9;;;;;;/h1-18H,19-20H2;2-14H,1H3;5-8,11-14H,3-4,9-10H2,1-2H3;4-7,9-12H,3,8H2,1-2H3;5-12H,3-4H2,1-2H3;3-10H,1-2H3;6*7H3;6*1H4/q6*+2;6*-1;;;;;;
InChIKeyUMWIMXNVTYWISQ-UHFFFAOYSA-N
XLogP20.13
TPSA46.56 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms187
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002625.64
LogP ≤ 520.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium?
The IUPAC name of 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium (CID 161136513) is 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium.
What is the SMILES notation for 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium?
The canonical SMILES for 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium is C.C.C.C.C.C.CCC[n+]1ccc(-c2cc[n+](C)cc2)cc1.CCC[n+]1ccc(-c2cc[n+](CCC)cc2)cc1.CC[n+]1ccc(-c2cc[n+](CC)cc2)cc1.C[n+]1ccc(-c2cc[n+](-c3ccccc3)cc2)cc1.C[n+]1ccc(-c2cc[n+](C)cc2)cc1.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.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-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium?
The InChIKey is UMWIMXNVTYWISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2.C17H16N2.C16H22N2.2C14H18N2.C12H14N2.6C6H3BF5.6CH4/c1-3-7-21(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;1-18-11-7-15(8-12-18)16-9-13-19(14-10-16)17-5-3-2-4-6-17;1-3-9-17-11-5-15(6-12-17)16-7-13-18(10-4-2)14-8-16;1-3-8-16-11-6-14(7-12-16)13-4-9-15(2)10-5-13;1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14;1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;6*7-1-2(8)4(10)6(12)5(11)3(1)9;;;;;;/h1-18H,19-20H2;2-14H,1H3;5-8,11-14H,3-4,9-10H2,1-2H3;4-7,9-12H,3,8H2,1-2H3;5-12H,3-4H2,1-2H3;3-10H,1-2H3;6*7H3;6*1H4/q6*+2;6*-1;;;;;;.
What are the key properties of 1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium?
1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium has a molecular weight of 2625.64 g/mol, XLogP of 20.13, 19 rotatable bonds, 0 hydrogen bond donors, and 0 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-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;methane;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium;hexakis((2,3,4,5,6-pentafluorophenyl)boranuide);1-propyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium is sourced from PubChem (CID 161136513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).