1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium

C19H17N2+ — CID 123854128

IUPAC1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium
SMILESCc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21
InChIInChI=1S/C19H17N2/c1-14-8-3-5-11-17(14)21-18-12-6-4-9-15(18)16-10-7-13-20(2)19(16)21/h3-13H,1-2H3/q+1
InChIKeyQPLGYGXMLLARFA-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.92
Rot. Bonds1

About 1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium

1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium (PubChem CID 123854128) has the molecular formula C19H17N2+ and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium.

Molecular Properties

Compound Name1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium
PubChem CID123854128
Molecular FormulaC19H17N2+
Molecular Weight273.36 g/mol
Exact Mass273.14
IUPAC Name1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium
SMILESCc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21
InChIInChI=1S/C19H17N2/c1-14-8-3-5-11-17(14)21-18-12-6-4-9-15(18)16-10-7-13-20(2)19(16)21/h3-13H,1-2H3/q+1
InChIKeyQPLGYGXMLLARFA-UHFFFAOYSA-N
XLogP3.92
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-(3-iodo-2-methylphenyl)-1-methylpyrido[2,3-b]indol-1-ium
CID 147033622
1-methyl-9-(2-methylphenyl)-3-(4-methylphenyl)pyrido[2,3-b]indol-1-ium
CID 159465411
1-methyl-9-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)oxyphenyl]pyrido[2,3-b]indol-1-ium
CID 177263706
4-carbazol-9-yl-9-(2-methylphenyl)carbazole
CID 174273239
4-methyl-3-(2-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-4-ium-2-thione
CID 177128965
4-(2-methylphenyl)thieno[3,4-b]indole
CID 132503643
9-methyl-17-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-8-(4-phenylphenyl)-12-oxa-6-aza-2-azoniapentacyclo[9.7.1.02,6.07,19.013,18]nonadeca-2,4,7,9,11(19),13,15,17-octaene
CID 160637268
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-(2-methylphenyl)pyrazole
CID 159898776
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;(8R)-8,9-dimethyl-7-(2-methylphenyl)-8H-purine;ethane;1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole
CID 161092536
3-(2-carbazol-9-ylphenyl)-9-(2-methylphenyl)carbazole
CID 164986167
1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium
CID 177263811
[9-(2-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811116

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium?
The IUPAC name of 1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium (CID 123854128) is 1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium.
What is the SMILES notation for 1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium?
The canonical SMILES for 1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium is Cc1ccccc1-n1c2ccccc2c2ccc[n+](C)c21.
What is the InChIKey of 1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium?
The InChIKey is QPLGYGXMLLARFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N2/c1-14-8-3-5-11-17(14)21-18-12-6-4-9-15(18)16-10-7-13-20(2)19(16)21/h3-13H,1-2H3/q+1.
What are the key properties of 1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium?
1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium has a molecular weight of 273.36 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium is sourced from PubChem (CID 123854128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).