4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium

C26H28N4+2 — CID 11006947

IUPAC4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium
SMILESc1cc(-c2cc[n+](CCCCCC[n+]3ccc(-c4ccncc4)cc3)cc2)ccn1
InChIInChI=1S/C26H28N4/c1(3-17-29-19-9-25(10-20-29)23-5-13-27-14-6-23)2-4-18-30-21-11-26(12-22-30)24-7-15-28-16-8-24/h5-16,19-22H,1-4,17-18H2/q+2
InChIKeyRMQYAXLROKFRAF-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.65
Rot. Bonds9

About 4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium

4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium (PubChem CID 11006947) has the molecular formula C26H28N4+2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium.

Molecular Properties

Compound Name4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium
PubChem CID11006947
Molecular FormulaC26H28N4+2
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC Name4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium
SMILESc1cc(-c2cc[n+](CCCCCC[n+]3ccc(-c4ccncc4)cc3)cc2)ccn1
InChIInChI=1S/C26H28N4/c1(3-17-29-19-9-25(10-20-29)23-5-13-27-14-6-23)2-4-18-30-21-11-26(12-22-30)24-7-15-28-16-8-24/h5-16,19-22H,1-4,17-18H2/q+2
InChIKeyRMQYAXLROKFRAF-UHFFFAOYSA-N
XLogP4.65
TPSA33.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium with MolForge

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Launch Full Analysis

Related Compounds

4-pyridin-4-yl-1-[7-(4-pyridin-4-ylpyridin-1-ium-1-yl)heptyl]pyridin-1-ium dihexafluorophosphate
CID 11115178
4-pyridin-4-yl-1-tetradecylpyridin-1-ium bromide
CID 70685881
1-heptyl-4-pyridin-4-ylpyridin-1-ium;bromide;hydrobromide
CID 174776003
1-heptyl-4-pyridin-4-ylpyridin-1-ium hexafluorophosphate
CID 177370087
1-butyl-4-pyridin-4-ylpyridin-1-ium bromide
CID 14219812
3,5,8,10,13,15,18,20,23,25,28,30,33,35,38,40,41,43,45,47,51,53,55,57,59,61,63,65,67,69,71,73-dotriacontazapentacosacyclo[35.3.3.36,7.311,12.316,17.321,22.326,27.331,32.22,41.236,43.13,40.15,8.110,13.115,18.120,23.125,28.130,33.135,38.145,51.147,73.153,55.157,59.161,63.165,67.169,71]octacontane-44,46,48,49,50,52,54,56,58,60,62,64,66,68,70,72-hexadecone;4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium;dibromide
CID 53343424
9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole
CID 71416434
2-[4-[1-[10-[4-[1-[10-[4-[1-(2-aminoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethanamine
CID 102410007
ethane;1-ethyl-4-pyridin-4-ylpyridin-1-ium
CID 142013032
1-tetradecyl-4-[1-[4-[4-(1-tetradecylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 102224171
1-methyl-4-[1-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]pyridin-1-ium-4-yl]pyridin-1-ium tetrachloride
CID 11734241
1-methyl-4-[1-[12-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 101013957

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium?
The IUPAC name of 4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium (CID 11006947) is 4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium.
What is the SMILES notation for 4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium?
The canonical SMILES for 4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium is c1cc(-c2cc[n+](CCCCCC[n+]3ccc(-c4ccncc4)cc3)cc2)ccn1.
What is the InChIKey of 4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium?
The InChIKey is RMQYAXLROKFRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c1(3-17-29-19-9-25(10-20-29)23-5-13-27-14-6-23)2-4-18-30-21-11-26(12-22-30)24-7-15-28-16-8-24/h5-16,19-22H,1-4,17-18H2/q+2.
What are the key properties of 4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium?
4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium has a molecular weight of 396.54 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-1-[6-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium is sourced from PubChem (CID 11006947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).