2,4,6-tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate

C32H28ClNO4 — CID 12627143

IUPAC2,4,6-tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)[n+](-c3ccccc3)c(-c3ccc(C)cc3)c2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C32H28N.ClHO4/c1-23-9-15-26(16-10-23)29-21-31(27-17-11-24(2)12-18-27)33(30-7-5-4-6-8-30)32(22-29)28-19-13-25(3)14-20-28;2-1(3,4)5/h4-22H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyYCEOWBGZYUGJRZ-UHFFFAOYSA-M
MW526.03 g/mol
LogP3.13
Rot. Bonds4

About 2,4,6-tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate

2,4,6-tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate (PubChem CID 12627143) has the molecular formula C32H28ClNO4 and a molecular weight of 526.03 g/mol. Its IUPAC name is 2,4,6-tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate.

Molecular Properties

Compound Name2,4,6-tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate
PubChem CID12627143
Molecular FormulaC32H28ClNO4
Molecular Weight526.03 g/mol
Exact Mass525.17
IUPAC Name2,4,6-tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)[n+](-c3ccccc3)c(-c3ccc(C)cc3)c2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C32H28N.ClHO4/c1-23-9-15-26(16-10-23)29-21-31(27-17-11-24(2)12-18-27)33(30-7-5-4-6-8-30)32(22-29)28-19-13-25(3)14-20-28;2-1(3,4)5/h4-22H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyYCEOWBGZYUGJRZ-UHFFFAOYSA-M
XLogP3.13
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.03
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,4,6-tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate?
The IUPAC name of 2,4,6-tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate (CID 12627143) is 2,4,6-tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate.
What is the SMILES notation for 2,4,6-tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate?
The canonical SMILES for 2,4,6-tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate is Cc1ccc(-c2cc(-c3ccc(C)cc3)[n+](-c3ccccc3)c(-c3ccc(C)cc3)c2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2,4,6-tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate?
The InChIKey is YCEOWBGZYUGJRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H28N.ClHO4/c1-23-9-15-26(16-10-23)29-21-31(27-17-11-24(2)12-18-27)33(30-7-5-4-6-8-30)32(22-29)28-19-13-25(3)14-20-28;2-1(3,4)5/h4-22H,1-3H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2,4,6-tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate?
2,4,6-tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate has a molecular weight of 526.03 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate is sourced from PubChem (CID 12627143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).