5-methyl-6-(2-methylphenyl)phenanthridin-5-ium

C21H18N+ — CID 169322524

IUPAC5-methyl-6-(2-methylphenyl)phenanthridin-5-ium
SMILESCc1ccccc1-c1c2ccccc2c2ccccc2[n+]1C
InChIInChI=1S/C21H18N/c1-15-9-3-4-10-16(15)21-19-13-6-5-11-17(19)18-12-7-8-14-20(18)22(21)2/h3-14H,1-2H3/q+1
InChIKeyXRKOBKHVVMJQLU-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.79
Rot. Bonds1

About 5-methyl-6-(2-methylphenyl)phenanthridin-5-ium

5-methyl-6-(2-methylphenyl)phenanthridin-5-ium (PubChem CID 169322524) has the molecular formula C21H18N+ and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-methyl-6-(2-methylphenyl)phenanthridin-5-ium.

Molecular Properties

Compound Name5-methyl-6-(2-methylphenyl)phenanthridin-5-ium
PubChem CID169322524
Molecular FormulaC21H18N+
Molecular Weight284.38 g/mol
Exact Mass284.14
IUPAC Name5-methyl-6-(2-methylphenyl)phenanthridin-5-ium
SMILESCc1ccccc1-c1c2ccccc2c2ccccc2[n+]1C
InChIInChI=1S/C21H18N/c1-15-9-3-4-10-16(15)21-19-13-6-5-11-17(19)18-12-7-8-14-20(18)22(21)2/h3-14H,1-2H3/q+1
InChIKeyXRKOBKHVVMJQLU-UHFFFAOYSA-N
XLogP4.79
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.79
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

2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium
CID 153369780
1,3,5-trimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
CID 140944401
4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium
CID 153466956
2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium
CID 90880561
2-(2,3-dimethylphenyl)-1,3-dimethylquinoxalin-1-ium
CID 158923676
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium
CID 153466967
1,2-dimethyl-6-(2-methylphenyl)-3-naphthalen-1-yl-5-phenylpyrazin-1-ium
CID 58991395
1,3-bis(2-methylphenyl)-2-benzofuran
CID 59096365
8-methoxy-5,6-dimethylphenanthridin-5-ium bromide
CID 24841243
1,6-dimethyl-2-(2-methylphenyl)-3,4-bis(trideuteriomethyl)pyridin-1-ium
CID 158964747
4-deuterio-6-fluoro-2,3-dimethyl-1-(2-methylphenyl)isoquinolin-2-ium
CID 159041966

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2-methylphenyl)phenanthridin-5-ium?
The IUPAC name of 5-methyl-6-(2-methylphenyl)phenanthridin-5-ium (CID 169322524) is 5-methyl-6-(2-methylphenyl)phenanthridin-5-ium.
What is the SMILES notation for 5-methyl-6-(2-methylphenyl)phenanthridin-5-ium?
The canonical SMILES for 5-methyl-6-(2-methylphenyl)phenanthridin-5-ium is Cc1ccccc1-c1c2ccccc2c2ccccc2[n+]1C.
What is the InChIKey of 5-methyl-6-(2-methylphenyl)phenanthridin-5-ium?
The InChIKey is XRKOBKHVVMJQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N/c1-15-9-3-4-10-16(15)21-19-13-6-5-11-17(19)18-12-7-8-14-20(18)22(21)2/h3-14H,1-2H3/q+1.
What are the key properties of 5-methyl-6-(2-methylphenyl)phenanthridin-5-ium?
5-methyl-6-(2-methylphenyl)phenanthridin-5-ium has a molecular weight of 284.38 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2-methylphenyl)phenanthridin-5-ium is sourced from PubChem (CID 169322524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).