5-hexylphenanthridin-5-ium

C19H22N+ — CID 10015686

IUPAC5-hexylphenanthridin-5-ium
SMILESCCCCCC[n+]1cc2ccccc2c2ccccc21
InChIInChI=1S/C19H22N/c1-2-3-4-9-14-20-15-16-10-5-6-11-17(16)18-12-7-8-13-19(18)20/h5-8,10-13,15H,2-4,9,14H2,1H3/q+1
InChIKeyDCINUNVUCRUUEH-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.86
Rot. Bonds5

About 5-hexylphenanthridin-5-ium

5-hexylphenanthridin-5-ium (PubChem CID 10015686) has the molecular formula C19H22N+ and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-hexylphenanthridin-5-ium.

Molecular Properties

Compound Name5-hexylphenanthridin-5-ium
PubChem CID10015686
Molecular FormulaC19H22N+
Molecular Weight264.39 g/mol
Exact Mass264.17
IUPAC Name5-hexylphenanthridin-5-ium
SMILESCCCCCC[n+]1cc2ccccc2c2ccccc21
InChIInChI=1S/C19H22N/c1-2-3-4-9-14-20-15-16-10-5-6-11-17(16)18-12-7-8-13-19(18)20/h5-8,10-13,15H,2-4,9,14H2,1H3/q+1
InChIKeyDCINUNVUCRUUEH-UHFFFAOYSA-N
XLogP4.86
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

chromenylium;5-hexylphenanthridin-5-ium;pentane-1,5-diamine;propane
CID 169187707
methyl 8-phenanthridin-5-ium-5-yloctanoate iodide
CID 11798295
ethyl 5-phenanthridin-5-ium-5-ylpentanoate chloride
CID 10712440
heptane;phenanthrene
CID 157482146
4-methyl-1-pentylquinolin-1-ium
CID 86110329
1-phenanthridin-5-ium-5-ylbutan-2-one
CID 172643796
10-octadecylacridin-10-ium
CID 19067410
5-[5-(2-nitroimidazol-1-yl)pentyl]phenanthridin-5-ium
CID 10044116
dimethyl 4-(5-phenanthridin-5-ium-5-ylpentoxy)-1,10-phenanthroline-2,9-dicarboxylate
CID 10770880
3-nonyl-1,3-benzothiazol-3-ium
CID 72734630
5-[4-(2-nitroimidazol-1-yl)butyl]phenanthridin-5-ium
CID 10247093
3-hexoxybenzo[f]isoquinolin-3-ium
CID 58571678

Frequently Asked Questions

What is the IUPAC name of 5-hexylphenanthridin-5-ium?
The IUPAC name of 5-hexylphenanthridin-5-ium (CID 10015686) is 5-hexylphenanthridin-5-ium.
What is the SMILES notation for 5-hexylphenanthridin-5-ium?
The canonical SMILES for 5-hexylphenanthridin-5-ium is CCCCCC[n+]1cc2ccccc2c2ccccc21.
What is the InChIKey of 5-hexylphenanthridin-5-ium?
The InChIKey is DCINUNVUCRUUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N/c1-2-3-4-9-14-20-15-16-10-5-6-11-17(16)18-12-7-8-13-19(18)20/h5-8,10-13,15H,2-4,9,14H2,1H3/q+1.
What are the key properties of 5-hexylphenanthridin-5-ium?
5-hexylphenanthridin-5-ium has a molecular weight of 264.39 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexylphenanthridin-5-ium is sourced from PubChem (CID 10015686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).