2,3,5,6-tetramethylphenanthridin-5-ium

C17H18N+ — CID 160890914

IUPAC2,3,5,6-tetramethylphenanthridin-5-ium
SMILESCc1cc2c3ccccc3c(C)[n+](C)c2cc1C
InChIInChI=1S/C17H18N/c1-11-9-16-15-8-6-5-7-14(15)13(3)18(4)17(16)10-12(11)2/h5-10H,1-4H3/q+1
InChIKeyXYGCZGWEBSUGHZ-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.74
Rot. Bonds

About 2,3,5,6-tetramethylphenanthridin-5-ium

2,3,5,6-tetramethylphenanthridin-5-ium (PubChem CID 160890914) has the molecular formula C17H18N+ and a molecular weight of 236.34 g/mol. Its IUPAC name is 2,3,5,6-tetramethylphenanthridin-5-ium.

Molecular Properties

Compound Name2,3,5,6-tetramethylphenanthridin-5-ium
PubChem CID160890914
Molecular FormulaC17H18N+
Molecular Weight236.34 g/mol
Exact Mass236.14
IUPAC Name2,3,5,6-tetramethylphenanthridin-5-ium
SMILESCc1cc2c3ccccc3c(C)[n+](C)c2cc1C
InChIInChI=1S/C17H18N/c1-11-9-16-15-8-6-5-7-14(15)13(3)18(4)17(16)10-12(11)2/h5-10H,1-4H3/q+1
InChIKeyXYGCZGWEBSUGHZ-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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-5,6-dimethylphenanthridin-5-ium bromide
CID 24841243
5,6,9,10-tetramethylphenanthridin-5-ium
CID 157300513
4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 164808812
ethane;2,3,9,10-tetramethylanthracene
CID 143843330
1,2,3-trimethylquinolin-1-ium chloride
CID 134987005
5,6-dimethyl-N-prop-2-ynylphenanthridin-5-ium-8-amine
CID 102464720
5-methyl-6-(2-methylphenyl)phenanthridin-5-ium
CID 169322524
4-methoxy-1,2-dimethylquinolin-1-ium
CID 3299774
19,20-dimethyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154959627
4-methoxy-1,2-dimethylquinolin-1-ium iodide
CID 18006525
4-iodo-1,2-dimethylquinolin-1-ium
CID 121219161
3,34-dimethyl-34-azoniaoctacyclo[25.7.1.12,6.17,11.112,16.117,21.122,26.028,33]tetraconta-1(34),2,4,6(40),7,9,11(39),12,14,16(38),17(37),18,20,22(36),23,25,27(35),28,30,32-icosaene
CID 171043582

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethylphenanthridin-5-ium?
The IUPAC name of 2,3,5,6-tetramethylphenanthridin-5-ium (CID 160890914) is 2,3,5,6-tetramethylphenanthridin-5-ium.
What is the SMILES notation for 2,3,5,6-tetramethylphenanthridin-5-ium?
The canonical SMILES for 2,3,5,6-tetramethylphenanthridin-5-ium is Cc1cc2c3ccccc3c(C)[n+](C)c2cc1C.
What is the InChIKey of 2,3,5,6-tetramethylphenanthridin-5-ium?
The InChIKey is XYGCZGWEBSUGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N/c1-11-9-16-15-8-6-5-7-14(15)13(3)18(4)17(16)10-12(11)2/h5-10H,1-4H3/q+1.
What are the key properties of 2,3,5,6-tetramethylphenanthridin-5-ium?
2,3,5,6-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 2,3,5,6-tetramethylphenanthridin-5-ium is sourced from PubChem (CID 160890914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).