5,6,9,10-tetramethylphenanthridin-5-ium

C17H18N+ — CID 157300513

IUPAC5,6,9,10-tetramethylphenanthridin-5-ium
SMILESCc1ccc2c(C)[n+](C)c3ccccc3c2c1C
InChIInChI=1S/C17H18N/c1-11-9-10-14-13(3)18(4)16-8-6-5-7-15(16)17(14)12(11)2/h5-10H,1-4H3/q+1
InChIKeyQNPKEKLCEOAGLB-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.74
Rot. Bonds

About 5,6,9,10-tetramethylphenanthridin-5-ium

5,6,9,10-tetramethylphenanthridin-5-ium (PubChem CID 157300513) has the molecular formula C17H18N+ and a molecular weight of 236.34 g/mol. Its IUPAC name is 5,6,9,10-tetramethylphenanthridin-5-ium.

Molecular Properties

Compound Name5,6,9,10-tetramethylphenanthridin-5-ium
PubChem CID157300513
Molecular FormulaC17H18N+
Molecular Weight236.34 g/mol
Exact Mass236.14
IUPAC Name5,6,9,10-tetramethylphenanthridin-5-ium
SMILESCc1ccc2c(C)[n+](C)c3ccccc3c2c1C
InChIInChI=1S/C17H18N/c1-11-9-10-14-13(3)18(4)16-8-6-5-7-15(16)17(14)12(11)2/h5-10H,1-4H3/q+1
InChIKeyQNPKEKLCEOAGLB-UHFFFAOYSA-N
XLogP3.74
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', '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

1,2-dimethyltriphenylene;ethane
CID 145144770
8-methoxy-5,6-dimethylphenanthridin-5-ium bromide
CID 24841243
2,3,5,6-tetramethylphenanthridin-5-ium
CID 160890914
5-methyl-6-(2-methylphenyl)phenanthridin-5-ium
CID 169322524
5,6-dimethyl-N-prop-2-ynylphenanthridin-5-ium-8-amine
CID 102464720
9,10-difluoro-1,2,7,8-tetramethylphenanthrene
CID 132606777
3,4,5-trimethylbenzo[b]phosphindole
CID 118221152
1,2,3-trimethylquinolin-1-ium chloride
CID 134987005
5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene
CID 134842596
5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide
CID 71681954
4-iodo-1,2-dimethylquinolin-1-ium
CID 121219161
1,3,4-trimethylphenanthrene
CID 53421592

Frequently Asked Questions

What is the IUPAC name of 5,6,9,10-tetramethylphenanthridin-5-ium?
The IUPAC name of 5,6,9,10-tetramethylphenanthridin-5-ium (CID 157300513) is 5,6,9,10-tetramethylphenanthridin-5-ium.
What is the SMILES notation for 5,6,9,10-tetramethylphenanthridin-5-ium?
The canonical SMILES for 5,6,9,10-tetramethylphenanthridin-5-ium is Cc1ccc2c(C)[n+](C)c3ccccc3c2c1C.
What is the InChIKey of 5,6,9,10-tetramethylphenanthridin-5-ium?
The InChIKey is QNPKEKLCEOAGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N/c1-11-9-10-14-13(3)18(4)16-8-6-5-7-15(16)17(14)12(11)2/h5-10H,1-4H3/q+1.
What are the key properties of 5,6,9,10-tetramethylphenanthridin-5-ium?
5,6,9,10-tetramethylphenanthridin-5-ium has a molecular weight of 236.34 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,9,10-tetramethylphenanthridin-5-ium is sourced from PubChem (CID 157300513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).