4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide

C23H26BrN — CID 24781680

IUPAC4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide
SMILESCc1cc[n+](CCCCCc2ccc(-c3ccccc3)cc2)cc1.[Br-]
InChIInChI=1S/C23H26N.BrH/c1-20-15-18-24(19-16-20)17-7-3-4-8-21-11-13-23(14-12-21)22-9-5-2-6-10-22;/h2,5-6,9-16,18-19H,3-4,7-8,17H2,1H3;1H/q+1;/p-1
InChIKeyKSDUHRMKYHFGAZ-UHFFFAOYSA-M
MW396.37 g/mol
LogP2.37
Rot. Bonds7

About 4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide

4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide (PubChem CID 24781680) has the molecular formula C23H26BrN and a molecular weight of 396.37 g/mol. Its IUPAC name is 4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide.

Molecular Properties

Compound Name4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide
PubChem CID24781680
Molecular FormulaC23H26BrN
Molecular Weight396.37 g/mol
Exact Mass395.12
IUPAC Name4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide
SMILESCc1cc[n+](CCCCCc2ccc(-c3ccccc3)cc2)cc1.[Br-]
InChIInChI=1S/C23H26N.BrH/c1-20-15-18-24(19-16-20)17-7-3-4-8-21-11-13-23(14-12-21)22-9-5-2-6-10-22;/h2,5-6,9-16,18-19H,3-4,7-8,17H2,1H3;1H/q+1;/p-1
InChIKeyKSDUHRMKYHFGAZ-UHFFFAOYSA-M
XLogP2.37
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide
CID 24781686
4-methyl-1-[7-(4-methylpyridin-1-ium-1-yl)heptyl]pyridin-1-ium dibromide
CID 10527247
4-methyl-1-[5-[2-[5-(4-methylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium
CID 24742848
4-methyl-1-(2-phenylethyl)pyridin-1-ium bromide
CID 19969323
4-methyl-1-[8-(4-methylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 10813744
methane;1-(3-phenylpropyl)-4-[1-[3-[4-[1-(3-phenylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 158181985
4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide
CID 174105717
1-docosylpyridin-1-ium;dodecylbenzene
CID 175305615
methane;4-(3-phenylpropyl)-1-[12-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium
CID 158903666
1-pentadecyl-4-phenylbenzene
CID 57166115
1-[4-(4-butylphenyl)butyl]pyridin-1-ium
CID 157420340
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide?
The IUPAC name of 4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide (CID 24781680) is 4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide.
What is the SMILES notation for 4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide?
The canonical SMILES for 4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide is Cc1cc[n+](CCCCCc2ccc(-c3ccccc3)cc2)cc1.[Br-].
What is the InChIKey of 4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide?
The InChIKey is KSDUHRMKYHFGAZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H26N.BrH/c1-20-15-18-24(19-16-20)17-7-3-4-8-21-11-13-23(14-12-21)22-9-5-2-6-10-22;/h2,5-6,9-16,18-19H,3-4,7-8,17H2,1H3;1H/q+1;/p-1.
What are the key properties of 4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide?
4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide has a molecular weight of 396.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide is sourced from PubChem (CID 24781680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).