1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate

C30H23ClFNO4 — CID 24892493

IUPAC1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate
SMILESFc1ccc(C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C30H23FN.ClHO4/c31-28-18-16-23(17-19-28)22-32-29(25-12-6-2-7-13-25)20-27(24-10-4-1-5-11-24)21-30(32)26-14-8-3-9-15-26;2-1(3,4)5/h1-21H,22H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyBDZHSHQYEHRWAJ-UHFFFAOYSA-M
MW515.97 g/mol
LogP2.41
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate

1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate (PubChem CID 24892493) has the molecular formula C30H23ClFNO4 and a molecular weight of 515.97 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate
PubChem CID24892493
Molecular FormulaC30H23ClFNO4
Molecular Weight515.97 g/mol
Exact Mass515.13
IUPAC Name1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate
SMILESFc1ccc(C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C30H23FN.ClHO4/c31-28-18-16-23(17-19-28)22-32-29(25-12-6-2-7-13-25)20-27(24-10-4-1-5-11-24)21-30(32)26-14-8-3-9-15-26;2-1(3,4)5/h1-21H,22H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyBDZHSHQYEHRWAJ-UHFFFAOYSA-M
XLogP2.41
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.97
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate (CID 24892493) is 1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate is Fc1ccc(C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate?
The InChIKey is BDZHSHQYEHRWAJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H23FN.ClHO4/c31-28-18-16-23(17-19-28)22-32-29(25-12-6-2-7-13-25)20-27(24-10-4-1-5-11-24)21-30(32)26-14-8-3-9-15-26;2-1(3,4)5/h1-21H,22H2;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate?
1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate has a molecular weight of 515.97 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2,4,6-triphenylpyridin-1-ium perchlorate is sourced from PubChem (CID 24892493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).