1-(11-phenylselanylundecyl)pyridin-1-ium

C22H32NSe+ — CID 141493542

IUPAC1-(11-phenylselanylundecyl)pyridin-1-ium
SMILESc1ccc([Se]CCCCCCCCCCC[n+]2ccccc2)cc1
InChIInChI=1S/C22H32NSe/c1(2-4-6-12-18-23-19-13-9-14-20-23)3-5-7-15-21-24-22-16-10-8-11-17-22/h8-11,13-14,16-17,19-20H,1-7,12,15,18,21H2/q+1
InChIKeyDQKUEKCNBJPSBI-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.93
Rot. Bonds13

About 1-(11-phenylselanylundecyl)pyridin-1-ium

1-(11-phenylselanylundecyl)pyridin-1-ium (PubChem CID 141493542) has the molecular formula C22H32NSe+ and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(11-phenylselanylundecyl)pyridin-1-ium.

Molecular Properties

Compound Name1-(11-phenylselanylundecyl)pyridin-1-ium
PubChem CID141493542
Molecular FormulaC22H32NSe+
Molecular Weight389.46 g/mol
Exact Mass390.17
IUPAC Name1-(11-phenylselanylundecyl)pyridin-1-ium
SMILESc1ccc([Se]CCCCCCCCCCC[n+]2ccccc2)cc1
InChIInChI=1S/C22H32NSe/c1(2-4-6-12-18-23-19-13-9-14-20-23)3-5-7-15-21-24-22-16-10-8-11-17-22/h8-11,13-14,16-17,19-20H,1-7,12,15,18,21H2/q+1
InChIKeyDQKUEKCNBJPSBI-UHFFFAOYSA-N
XLogP4.93
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 88512061
2-(7-pyridin-1-ium-1-ylheptyl)isoquinolin-2-ium
CID 72724836
1-[4-[2-(4-pyridin-1-ium-1-ylbutyl)phenyl]butyl]pyridin-1-ium
CID 72721466
1-(12-phenoxydodecyl)pyridin-1-ium
CID 102367182
1-pentyl-4-[1-(12-pyridin-1-ium-1-yldodecyl)pyridin-1-ium-4-yl]pyridin-1-ium
CID 102431156
1-hexadecylpyridin-1-ium
CID 159475499
1-dodecylpyridin-1-ium;1-tetradecylpyridin-1-ium
CID 160827832
5-pyridin-1-ium-1-ylpentan-1-amine
CID 23422842
1-dodecylpyridin-1-ium
CID 7718
1-docosylpyridin-1-ium;dodecylbenzene
CID 175305615
1-(8-pyridin-1-ium-1-yloctyl)quinolin-1-ium
CID 72724908
perchloric acid;1-(5-pyridin-1-ium-1-ylpentyl)pyridin-1-ium
CID 126957010

Frequently Asked Questions

What is the IUPAC name of 1-(11-phenylselanylundecyl)pyridin-1-ium?
The IUPAC name of 1-(11-phenylselanylundecyl)pyridin-1-ium (CID 141493542) is 1-(11-phenylselanylundecyl)pyridin-1-ium.
What is the SMILES notation for 1-(11-phenylselanylundecyl)pyridin-1-ium?
The canonical SMILES for 1-(11-phenylselanylundecyl)pyridin-1-ium is c1ccc([Se]CCCCCCCCCCC[n+]2ccccc2)cc1.
What is the InChIKey of 1-(11-phenylselanylundecyl)pyridin-1-ium?
The InChIKey is DQKUEKCNBJPSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32NSe/c1(2-4-6-12-18-23-19-13-9-14-20-23)3-5-7-15-21-24-22-16-10-8-11-17-22/h8-11,13-14,16-17,19-20H,1-7,12,15,18,21H2/q+1.
What are the key properties of 1-(11-phenylselanylundecyl)pyridin-1-ium?
1-(11-phenylselanylundecyl)pyridin-1-ium has a molecular weight of 389.46 g/mol, XLogP of 4.93, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-phenylselanylundecyl)pyridin-1-ium is sourced from PubChem (CID 141493542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).