1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium

C20H18N+ — CID 123474758

IUPAC1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium
SMILESCc1ccccc1C1c2ccccc2-c2ccc[n+](C)c21
InChIInChI=1S/C20H18N/c1-14-8-3-4-9-15(14)19-17-11-6-5-10-16(17)18-12-7-13-21(2)20(18)19/h3-13,19H,1-2H3/q+1
InChIKeyOVZULXDMMNUTIM-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.98
Rot. Bonds1

About 1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium

1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium (PubChem CID 123474758) has the molecular formula C20H18N+ and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium
PubChem CID123474758
Molecular FormulaC20H18N+
Molecular Weight272.37 g/mol
Exact Mass272.14
IUPAC Name1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium
SMILESCc1ccccc1C1c2ccccc2-c2ccc[n+](C)c21
InChIInChI=1S/C20H18N/c1-14-8-3-4-9-15(14)19-17-11-6-5-10-16(17)18-12-7-13-21(2)20(18)19/h3-13,19H,1-2H3/q+1
InChIKeyOVZULXDMMNUTIM-UHFFFAOYSA-N
XLogP3.98
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.98
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

(2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one
CID 11797380
3-methyl-4-(2-methylphenyl)-3-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene
CID 140861435
9-(2,5-dimethylphenyl)-9H-fluorene
CID 10730779
1,11-dimethyl-3aH-phenanthro[9,10-b]pyrrol-1-ium
CID 165172791
12-methyl-12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene
CID 102363413
1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium
CID 170684386
2-methyl-1-(2-methylphenyl)-1H-isoindol-2-ium
CID 140889697
9-phenyl-9H-fluorene
CID 13091
1-methyl-8-(2-methylphenyl)quinolin-1-ium
CID 176621990
1,2,3-trimethylpyridin-1-ium;hydrobromide
CID 18985420
2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium
CID 123291859
(NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine
CID 162648523

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium?
The IUPAC name of 1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium (CID 123474758) is 1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium.
What is the SMILES notation for 1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium?
The canonical SMILES for 1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium is Cc1ccccc1C1c2ccccc2-c2ccc[n+](C)c21.
What is the InChIKey of 1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium?
The InChIKey is OVZULXDMMNUTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N/c1-14-8-3-4-9-15(14)19-17-11-6-5-10-16(17)18-12-7-13-21(2)20(18)19/h3-13,19H,1-2H3/q+1.
What are the key properties of 1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium?
1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium has a molecular weight of 272.37 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium is sourced from PubChem (CID 123474758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).