4,5-dimethylphenanthridin-5-ium;ethane

C17H20N+ — CID 142008491

IUPAC4,5-dimethylphenanthridin-5-ium;ethane
SMILESCC.Cc1cccc2c3ccccc3c[n+](C)c12
InChIInChI=1S/C15H14N.C2H6/c1-11-6-5-9-14-13-8-4-3-7-12(13)10-16(2)15(11)14;1-2/h3-10H,1-2H3;1-2H3/q+1;
InChIKeyUVHUUBLMYFCKEH-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.15
Rot. Bonds

About 4,5-dimethylphenanthridin-5-ium;ethane

4,5-dimethylphenanthridin-5-ium;ethane (PubChem CID 142008491) has the molecular formula C17H20N+ and a molecular weight of 238.35 g/mol. Its IUPAC name is 4,5-dimethylphenanthridin-5-ium;ethane.

Molecular Properties

Compound Name4,5-dimethylphenanthridin-5-ium;ethane
PubChem CID142008491
Molecular FormulaC17H20N+
Molecular Weight238.35 g/mol
Exact Mass238.16
IUPAC Name4,5-dimethylphenanthridin-5-ium;ethane
SMILESCC.Cc1cccc2c3ccccc3c[n+](C)c12
InChIInChI=1S/C15H14N.C2H6/c1-11-6-5-9-14-13-8-4-3-7-12(13)10-16(2)15(11)14;1-2/h3-10H,1-2H3;1-2H3/q+1;
InChIKeyUVHUUBLMYFCKEH-UHFFFAOYSA-N
XLogP4.15
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

acetylene;ethane;1-methylnaphthalene
CID 167495690
carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
CID 158669660
3-chloro-2-methylisoquinolin-2-ium
CID 5188840
ethane;8-methyl-1-oxidoquinolin-1-ium
CID 91532902
3-methyl-2-(2-methylphenyl)quinazolin-3-ium
CID 123266247
methane;1-methylphenanthrene
CID 175001905
ethane;1-methylnaphthalene;toluene
CID 91013579
1-methylbenzo[a]quinolizin-5-ium
CID 14709339
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
1-methyl-8-(2-methylphenyl)quinolin-1-ium
CID 176621990
ethane;methane;9-methylphenanthrene
CID 169171289

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylphenanthridin-5-ium;ethane?
The IUPAC name of 4,5-dimethylphenanthridin-5-ium;ethane (CID 142008491) is 4,5-dimethylphenanthridin-5-ium;ethane.
What is the SMILES notation for 4,5-dimethylphenanthridin-5-ium;ethane?
The canonical SMILES for 4,5-dimethylphenanthridin-5-ium;ethane is CC.Cc1cccc2c3ccccc3c[n+](C)c12.
What is the InChIKey of 4,5-dimethylphenanthridin-5-ium;ethane?
The InChIKey is UVHUUBLMYFCKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N.C2H6/c1-11-6-5-9-14-13-8-4-3-7-12(13)10-16(2)15(11)14;1-2/h3-10H,1-2H3;1-2H3/q+1;.
What are the key properties of 4,5-dimethylphenanthridin-5-ium;ethane?
4,5-dimethylphenanthridin-5-ium;ethane has a molecular weight of 238.35 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylphenanthridin-5-ium;ethane is sourced from PubChem (CID 142008491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).