2-chloro-4-[2-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-1-yl]phenol

C29H20Cl2NO+ — CID 156757104

IUPAC2-chloro-4-[2-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-1-yl]phenol
SMILESOc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C29H19Cl2NO/c30-24-13-11-22(12-14-24)28-18-23(20-7-3-1-4-8-20)17-27(21-9-5-2-6-10-21)32(28)25-15-16-29(33)26(31)19-25/h1-19H/p+1
InChIKeyUPKOCZWFWUIWKY-UHFFFAOYSA-O
MW469.39 g/mol
LogP7.98
Rot. Bonds4

About 2-chloro-4-[2-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-1-yl]phenol

2-chloro-4-[2-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-1-yl]phenol (PubChem CID 156757104) has the molecular formula C29H20Cl2NO+ and a molecular weight of 469.39 g/mol. Its IUPAC name is 2-chloro-4-[2-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-1-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[2-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-1-yl]phenol
PubChem CID156757104
Molecular FormulaC29H20Cl2NO+
Molecular Weight469.39 g/mol
Exact Mass468.09
IUPAC Name2-chloro-4-[2-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-1-yl]phenol
SMILESOc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C29H19Cl2NO/c30-24-13-11-22(12-14-24)28-18-23(20-7-3-1-4-8-20)17-27(21-9-5-2-6-10-21)32(28)25-15-16-29(33)26(31)19-25/h1-19H/p+1
InChIKeyUPKOCZWFWUIWKY-UHFFFAOYSA-O
XLogP7.98
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.39
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-bromophenyl)-4,6-diphenylpyridin-1-ium-1-yl]-2-chlorophenol
CID 156757102
2-chloro-4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate
CID 142748320
3-(2,4,6-triphenylpyridin-1-ium-1-yl)phenol perchlorate
CID 12647559
4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoic acid
CID 3720319
2-[1-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-2-yl]-1H-benzimidazol-3-ium diperchlorate
CID 44888332
2,5-dichloro-4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate
CID 135121618
1,1'-biphenyl;2-chlorophenol
CID 174555563
2,4-dichlorophenol;phenol
CID 67451432
1-(4-chlorophenyl)-N-(4-methylphenyl)-4,6-diphenylpyridin-1-ium-2-carboxamide tetrafluoroborate
CID 13114910
2-hydroxy-4-(2-methyl-4,6-diphenylpyridin-1-ium-1-yl)benzoic acid perchlorate
CID 10504949
4-[1-(4-methylphenyl)-4-[4-[1-(4-methylphenyl)-2-phenyl-6-(4-sulfophenyl)pyridin-1-ium-4-yl]phenyl]-6-phenylpyridin-1-ium-2-yl]benzenesulfonic acid
CID 3698598
oxido(trioxo)rhenium;1,2,4,6-tetraphenylpyridin-1-ium
CID 21324133

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-1-yl]phenol?
The IUPAC name of 2-chloro-4-[2-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-1-yl]phenol (CID 156757104) is 2-chloro-4-[2-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-1-yl]phenol.
What is the SMILES notation for 2-chloro-4-[2-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-1-yl]phenol?
The canonical SMILES for 2-chloro-4-[2-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-1-yl]phenol is Oc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-1-yl]phenol?
The InChIKey is UPKOCZWFWUIWKY-UHFFFAOYSA-O. The full InChI is InChI=1S/C29H19Cl2NO/c30-24-13-11-22(12-14-24)28-18-23(20-7-3-1-4-8-20)17-27(21-9-5-2-6-10-21)32(28)25-15-16-29(33)26(31)19-25/h1-19H/p+1.
What are the key properties of 2-chloro-4-[2-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-1-yl]phenol?
2-chloro-4-[2-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-1-yl]phenol has a molecular weight of 469.39 g/mol, XLogP of 7.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(4-chlorophenyl)-4,6-diphenylpyridin-1-ium-1-yl]phenol is sourced from PubChem (CID 156757104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).