1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium

C30H24NO+ — CID 3284093

IUPAC1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium
SMILESCOc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C30H24NO/c1-32-28-19-17-27(18-20-28)31-29(24-13-7-3-8-14-24)21-26(23-11-5-2-6-12-23)22-30(31)25-15-9-4-10-16-25/h2-22H,1H3/q+1
InChIKeyKCMOVBPDRGDKSU-UHFFFAOYSA-N
MW414.53 g/mol
LogP6.97
Rot. Bonds5

About 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium

1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium (PubChem CID 3284093) has the molecular formula C30H24NO+ and a molecular weight of 414.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium
PubChem CID3284093
Molecular FormulaC30H24NO+
Molecular Weight414.53 g/mol
Exact Mass414.19
IUPAC Name1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium
SMILESCOc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C30H24NO/c1-32-28-19-17-27(18-20-28)31-29(24-13-7-3-8-14-24)21-26(23-11-5-2-6-12-23)22-30(31)25-15-9-4-10-16-25/h2-22H,1H3/q+1
InChIKeyKCMOVBPDRGDKSU-UHFFFAOYSA-N
XLogP6.97
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 56.97
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium?
The IUPAC name of 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium (CID 3284093) is 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium.
What is the SMILES notation for 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium?
The canonical SMILES for 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium is COc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium?
The InChIKey is KCMOVBPDRGDKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24NO/c1-32-28-19-17-27(18-20-28)31-29(24-13-7-3-8-14-24)21-26(23-11-5-2-6-12-23)22-30(31)25-15-9-4-10-16-25/h2-22H,1H3/q+1.
What are the key properties of 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium?
1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium has a molecular weight of 414.53 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2,4,6-triphenylpyridin-1-ium is sourced from PubChem (CID 3284093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).