phenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone

C23H17N2O+ — CID 91271987

IUPACphenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(-[n+]2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C23H17N2O/c26-23(20-4-2-1-3-5-20)21-6-8-22(9-7-21)25-16-12-19(13-17-25)18-10-14-24-15-11-18/h1-17H/q+1
InChIKeyKAVPYMQFASWQRI-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.26
Rot. Bonds4

About phenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone

phenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone (PubChem CID 91271987) has the molecular formula C23H17N2O+ and a molecular weight of 337.40 g/mol. Its IUPAC name is phenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone
PubChem CID91271987
Molecular FormulaC23H17N2O+
Molecular Weight337.40 g/mol
Exact Mass337.13
IUPAC Namephenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(-[n+]2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C23H17N2O/c26-23(20-4-2-1-3-5-20)21-6-8-22(9-7-21)25-16-12-19(13-17-25)18-10-14-24-15-11-18/h1-17H/q+1
InChIKeyKAVPYMQFASWQRI-UHFFFAOYSA-N
XLogP4.26
TPSA33.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-[1-(4-benzoylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]-phenylmethanone
CID 58142543
4-(4-pyridin-4-ylpyridin-1-ium-1-yl)benzoic acid;chloride;hydrochloride
CID 175064036
3-(4-pyridin-4-ylpyridin-1-ium-1-yl)benzoate;dihydrate
CID 139086042
2-phenyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenol
CID 143159211
phenyl-(4-phenylphenyl)methanone
CID 155775877
1-phenyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone bromide
CID 44783997
tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium
CID 4004269
4-[4-[(Z)-1,2-diphenyl-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine
CID 172894351
(2E,4E)-5-[4-[1-(4-benzoylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-methyl-1-phenylhepta-2,4,6-trien-1-one
CID 89332541
diphenylmethanone
CID 3102
1-methyl-4-[1-[4-(4-phenylphenyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 102138049
bis(3,5-dipyridin-4-ylphenyl)methanone
CID 58240129

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone?
The IUPAC name of phenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone (CID 91271987) is phenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone.
What is the SMILES notation for phenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone?
The canonical SMILES for phenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone is O=C(c1ccccc1)c1ccc(-[n+]2ccc(-c3ccncc3)cc2)cc1.
What is the InChIKey of phenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone?
The InChIKey is KAVPYMQFASWQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N2O/c26-23(20-4-2-1-3-5-20)21-6-8-22(9-7-21)25-16-12-19(13-17-25)18-10-14-24-15-11-18/h1-17H/q+1.
What are the key properties of phenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone?
phenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone has a molecular weight of 337.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)phenyl]methanone is sourced from PubChem (CID 91271987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).