2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol

C22H17N2O+ — CID 143159211

IUPAC2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol
SMILESOc1ccc(-[n+]2ccc(-c3ccncc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C22H16N2O/c25-22-7-6-20(16-21(22)19-4-2-1-3-5-19)24-14-10-18(11-15-24)17-8-12-23-13-9-17/h1-16H/p+1
InChIKeyOLUGFQAOUUGWMV-UHFFFAOYSA-O
MW325.39 g/mol
LogP4.40
Rot. Bonds3

About 2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol

2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol (PubChem CID 143159211) has the molecular formula C22H17N2O+ and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol.

Molecular Properties

Compound Name2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol
PubChem CID143159211
Molecular FormulaC22H17N2O+
Molecular Weight325.39 g/mol
Exact Mass325.13
IUPAC Name2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol
SMILESOc1ccc(-[n+]2ccc(-c3ccncc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C22H16N2O/c25-22-7-6-20(16-21(22)19-4-2-1-3-5-19)24-14-10-18(11-15-24)17-8-12-23-13-9-17/h1-16H/p+1
InChIKeyOLUGFQAOUUGWMV-UHFFFAOYSA-O
XLogP4.40
TPSA37.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone
CID 91271987
4-(4-phenyl-2,6-dipyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-4-ylphenol
CID 135404283
4-[4-[2,4-diphenyl-5-(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 67990612
1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium
CID 59650412
4-(4-pyridin-4-ylpyridin-1-ium-1-yl)benzoic acid;chloride;hydrochloride
CID 175064036
azane;4-phenylpyridine
CID 175775455
3-(4-pyridin-4-ylpyridin-1-ium-1-yl)benzoate;dihydrate
CID 139086042
2,6-diphenyl-4-pyridin-4-ylaniline
CID 11209480
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol
CID 121386312
4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-3-ylphenolate
CID 11734364
4-pyridin-4-ylbenzene-1,2-diol
CID 604349

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol?
The IUPAC name of 2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol (CID 143159211) is 2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol.
What is the SMILES notation for 2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol?
The canonical SMILES for 2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol is Oc1ccc(-[n+]2ccc(-c3ccncc3)cc2)cc1-c1ccccc1.
What is the InChIKey of 2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol?
The InChIKey is OLUGFQAOUUGWMV-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H16N2O/c25-22-7-6-20(16-21(22)19-4-2-1-3-5-19)24-14-10-18(11-15-24)17-8-12-23-13-9-17/h1-16H/p+1.
What are the key properties of 2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol?
2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol has a molecular weight of 325.39 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol is sourced from PubChem (CID 143159211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).