7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine

C21H19N2+ — CID 159407466

IUPAC7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine
SMILESCc1ccc(-c2c(C)ccc3c2cnc2ccccc23)[n+](C)c1
InChIInChI=1S/C21H19N2/c1-14-8-11-20(23(3)13-14)21-15(2)9-10-16-17-6-4-5-7-19(17)22-12-18(16)21/h4-13H,1-3H3/q+1
InChIKeyNIIQLOFCDKHFLS-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.50
Rot. Bonds1

About 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine

7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine (PubChem CID 159407466) has the molecular formula C21H19N2+ and a molecular weight of 299.40 g/mol. Its IUPAC name is 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine.

Molecular Properties

Compound Name7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine
PubChem CID159407466
Molecular FormulaC21H19N2+
Molecular Weight299.40 g/mol
Exact Mass299.15
IUPAC Name7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine
SMILESCc1ccc(-c2c(C)ccc3c2cnc2ccccc23)[n+](C)c1
InChIInChI=1S/C21H19N2/c1-14-8-11-20(23(3)13-14)21-15(2)9-10-16-17-6-4-5-7-19(17)22-12-18(16)21/h4-13H,1-3H3/q+1
InChIKeyNIIQLOFCDKHFLS-UHFFFAOYSA-N
XLogP4.50
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4-dimethylpyridine
CID 123408164
2-(6-isocyano-3-methyldibenzoselenophen-4-yl)-1,5-dimethylpyridin-1-ium
CID 154615165
2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium
CID 153464671
2-[3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4,6-trimethylphenyl]-1,5-dimethylpyridin-1-ium
CID 140944282
3-methyl-4-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 140791369
trimethyl-[1-methyl-6-(3-methyldibenzothiophen-4-yl)pyridin-1-ium-3-yl]silane
CID 167365003
2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium
CID 59575248
1-methyl-2-(7-methyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)-5-(trideuteriomethyl)pyridin-1-ium
CID 153418212
2-(1,3-dimethyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium;1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 158855776
2-(6-isocyano-2-methyldibenzofuran-1-yl)-1,5-dimethylpyridin-1-ium
CID 154615505
9-methylphenanthridine
CID 10987123
1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium
CID 140920519

Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine?
The IUPAC name of 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine (CID 159407466) is 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine.
What is the SMILES notation for 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine?
The canonical SMILES for 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine is Cc1ccc(-c2c(C)ccc3c2cnc2ccccc23)[n+](C)c1.
What is the InChIKey of 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine?
The InChIKey is NIIQLOFCDKHFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N2/c1-14-8-11-20(23(3)13-14)21-15(2)9-10-16-17-6-4-5-7-19(17)22-12-18(16)21/h4-13H,1-3H3/q+1.
What are the key properties of 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine?
7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine has a molecular weight of 299.40 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylphenanthridine is sourced from PubChem (CID 159407466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).