1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium

C19H16NY- — CID 172528303

IUPAC1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium
SMILESCc1ccccc1-c1c(-c2[c-]cccc2)[c-]cc[n+]1C.[Y]
InChIInChI=1S/C19H16N.Y/c1-15-9-6-7-12-17(15)19-18(13-8-14-20(19)2)16-10-4-3-5-11-16;/h3-10,12,14H,1-2H3;/q-1;
InChIKeyCEHYOLDXQOEOCZ-UHFFFAOYSA-N
MW347.25 g/mol
LogP3.75
Rot. Bonds2

About 1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium

1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium (PubChem CID 172528303) has the molecular formula C19H16NY- and a molecular weight of 347.25 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium.

Molecular Properties

Compound Name1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium
PubChem CID172528303
Molecular FormulaC19H16NY-
Molecular Weight347.25 g/mol
Exact Mass347.03
IUPAC Name1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium
SMILESCc1ccccc1-c1c(-c2[c-]cccc2)[c-]cc[n+]1C.[Y]
InChIInChI=1S/C19H16N.Y/c1-15-9-6-7-12-17(15)19-18(13-8-14-20(19)2)16-10-4-3-5-11-16;/h3-10,12,14H,1-2H3;/q-1;
InChIKeyCEHYOLDXQOEOCZ-UHFFFAOYSA-N
XLogP3.75
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
CID 168726074
ethane;phenylbenzene;yttrium
CID 161119758
1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,4-trimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 161077986
2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten
CID 177081636
iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113
N,N-dimethyl-2-phenyl-6-phenylbenzene-5-id-1-amine;yttrium
CID 171607350
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
CID 172624920
3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140881406
2-methyl-1-(2-methylphenyl)-5H-indeno[1,2-c]pyridin-2-ium
CID 59583170
palladium(2+);phenylbenzene
CID 58471959
iridium;phenylbenzene
CID 58599975
2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium
CID 90880561

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium?
The IUPAC name of 1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium (CID 172528303) is 1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium.
What is the SMILES notation for 1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium?
The canonical SMILES for 1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium is Cc1ccccc1-c1c(-c2[c-]cccc2)[c-]cc[n+]1C.[Y].
What is the InChIKey of 1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium?
The InChIKey is CEHYOLDXQOEOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N.Y/c1-15-9-6-7-12-17(15)19-18(13-8-14-20(19)2)16-10-4-3-5-11-16;/h3-10,12,14H,1-2H3;/q-1;.
What are the key properties of 1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium?
1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium has a molecular weight of 347.25 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium is sourced from PubChem (CID 172528303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).