2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium

C23H20N+ — CID 153369780

IUPAC2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium
SMILESCc1ccccc1-c1c2ccccc2c(-c2ccccc2)c[n+]1C
InChIInChI=1S/C23H20N/c1-17-10-6-7-13-19(17)23-21-15-9-8-14-20(21)22(16-24(23)2)18-11-4-3-5-12-18/h3-16H,1-2H3/q+1
InChIKeyLYLRVXCZCBKRSW-UHFFFAOYSA-N
MW310.42 g/mol
LogP5.31
Rot. Bonds2

About 2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium

2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium (PubChem CID 153369780) has the molecular formula C23H20N+ and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium.

Molecular Properties

Compound Name2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium
PubChem CID153369780
Molecular FormulaC23H20N+
Molecular Weight310.42 g/mol
Exact Mass310.16
IUPAC Name2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium
SMILESCc1ccccc1-c1c2ccccc2c(-c2ccccc2)c[n+]1C
InChIInChI=1S/C23H20N/c1-17-10-6-7-13-19(17)23-21-15-9-8-14-20(21)22(16-24(23)2)18-11-4-3-5-12-18/h3-16H,1-2H3/q+1
InChIKeyLYLRVXCZCBKRSW-UHFFFAOYSA-N
XLogP5.31
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-(2,2-dimethylpropyl)-2,4-dimethyl-1-(2-methylphenyl)isoquinolin-2-ium
CID 153466881
5-methyl-6-(2-methylphenyl)phenanthridin-5-ium
CID 169322524
1-methyl-2-(2-methylphenyl)-5-phenyl-3-(4-phenylphenyl)pyrazin-1-ium
CID 58991462
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,4-trimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 161077986
5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium
CID 58991387
5-methyl-4-(2-methylphenyl)-1-phenylpyrrolo[3,2-c]pyridin-5-ium
CID 169055592
5-(2-methylphenyl)-6,11,12-triphenyltetracene
CID 59307472
5-(1-benzothiophen-3-yl)-3-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140881295
1-methyl-2-phenylbenzene;prop-1-ene
CID 144960650

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium?
The IUPAC name of 2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium (CID 153369780) is 2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium.
What is the SMILES notation for 2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium?
The canonical SMILES for 2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium is Cc1ccccc1-c1c2ccccc2c(-c2ccccc2)c[n+]1C.
What is the InChIKey of 2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium?
The InChIKey is LYLRVXCZCBKRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N/c1-17-10-6-7-13-19(17)23-21-15-9-8-14-20(21)22(16-24(23)2)18-11-4-3-5-12-18/h3-16H,1-2H3/q+1.
What are the key properties of 2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium?
2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium has a molecular weight of 310.42 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium is sourced from PubChem (CID 153369780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).