1,2,4,6-tetraphenylpyridin-1-ium

C29H22N+ — CID 3124420

IUPAC1,2,4,6-tetraphenylpyridin-1-ium
SMILESc1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C29H22N/c1-5-13-23(14-6-1)26-21-28(24-15-7-2-8-16-24)30(27-19-11-4-12-20-27)29(22-26)25-17-9-3-10-18-25/h1-22H/q+1
InChIKeyRQZVZXMZBKLHPE-UHFFFAOYSA-N
MW384.50 g/mol
LogP6.96
Rot. Bonds4

About 1,2,4,6-tetraphenylpyridin-1-ium

1,2,4,6-tetraphenylpyridin-1-ium (PubChem CID 3124420) has the molecular formula C29H22N+ and a molecular weight of 384.50 g/mol. Its IUPAC name is 1,2,4,6-tetraphenylpyridin-1-ium.

Molecular Properties

Compound Name1,2,4,6-tetraphenylpyridin-1-ium
PubChem CID3124420
Molecular FormulaC29H22N+
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name1,2,4,6-tetraphenylpyridin-1-ium
SMILESc1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C29H22N/c1-5-13-23(14-6-1)26-21-28(24-15-7-2-8-16-24)30(27-19-11-4-12-20-27)29(22-26)25-17-9-3-10-18-25/h1-22H/q+1
InChIKeyRQZVZXMZBKLHPE-UHFFFAOYSA-N
XLogP6.96
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 56.96
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

Acridine
CID 9215
2-Phenylquinoline
CID 71545
Sib 1893
CID 5311432
9-Methylacridine
CID 11913
(E)-2-Styrylquinoline
CID 5357469
9-Phenylcarbazole
CID 70851
2,6-Diphenylpyridine
CID 72920
1-ethyl-2-[3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl]quinolinium
CID 1551050
1,2,3,4-Tetrahydroacridine
CID 155315
3,4-Dimethyl-2,6-diphenylpyridine
CID 3110002
2,3-Diphenylquinoxaline
CID 74311
9-Phenylacridine
CID 69041

Frequently Asked Questions

What is the IUPAC name of 1,2,4,6-tetraphenylpyridin-1-ium?
The IUPAC name of 1,2,4,6-tetraphenylpyridin-1-ium (CID 3124420) is 1,2,4,6-tetraphenylpyridin-1-ium.
What is the SMILES notation for 1,2,4,6-tetraphenylpyridin-1-ium?
The canonical SMILES for 1,2,4,6-tetraphenylpyridin-1-ium is c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 1,2,4,6-tetraphenylpyridin-1-ium?
The InChIKey is RQZVZXMZBKLHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N/c1-5-13-23(14-6-1)26-21-28(24-15-7-2-8-16-24)30(27-19-11-4-12-20-27)29(22-26)25-17-9-3-10-18-25/h1-22H/q+1.
What are the key properties of 1,2,4,6-tetraphenylpyridin-1-ium?
1,2,4,6-tetraphenylpyridin-1-ium has a molecular weight of 384.50 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,6-tetraphenylpyridin-1-ium is sourced from PubChem (CID 3124420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).