1,4,6-triphenyl-1H-pyridin-1-ium-2-one

C23H18NO+ — CID 100998592

IUPAC1,4,6-triphenyl-1H-pyridin-1-ium-2-one
SMILESO=C1C=C(c2ccccc2)C=C(c2ccccc2)[NH+]1c1ccccc1
InChIInChI=1S/C23H17NO/c25-23-17-20(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)24(23)21-14-8-3-9-15-21/h1-17H/p+1
InChIKeyNZSUHQPVASIROZ-UHFFFAOYSA-O
MW324.40 g/mol
LogP3.87
Rot. Bonds3

About 1,4,6-triphenyl-1H-pyridin-1-ium-2-one

1,4,6-triphenyl-1H-pyridin-1-ium-2-one (PubChem CID 100998592) has the molecular formula C23H18NO+ and a molecular weight of 324.40 g/mol. Its IUPAC name is 1,4,6-triphenyl-1H-pyridin-1-ium-2-one.

Molecular Properties

Compound Name1,4,6-triphenyl-1H-pyridin-1-ium-2-one
PubChem CID100998592
Molecular FormulaC23H18NO+
Molecular Weight324.40 g/mol
Exact Mass324.14
IUPAC Name1,4,6-triphenyl-1H-pyridin-1-ium-2-one
SMILESO=C1C=C(c2ccccc2)C=C(c2ccccc2)[NH+]1c1ccccc1
InChIInChI=1S/C23H17NO/c25-23-17-20(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)24(23)21-14-8-3-9-15-21/h1-17H/p+1
InChIKeyNZSUHQPVASIROZ-UHFFFAOYSA-O
XLogP3.87
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-triphenyl-1H-pyridin-1-ium-2-one?
The IUPAC name of 1,4,6-triphenyl-1H-pyridin-1-ium-2-one (CID 100998592) is 1,4,6-triphenyl-1H-pyridin-1-ium-2-one.
What is the SMILES notation for 1,4,6-triphenyl-1H-pyridin-1-ium-2-one?
The canonical SMILES for 1,4,6-triphenyl-1H-pyridin-1-ium-2-one is O=C1C=C(c2ccccc2)C=C(c2ccccc2)[NH+]1c1ccccc1.
What is the InChIKey of 1,4,6-triphenyl-1H-pyridin-1-ium-2-one?
The InChIKey is NZSUHQPVASIROZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H17NO/c25-23-17-20(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)24(23)21-14-8-3-9-15-21/h1-17H/p+1.
What are the key properties of 1,4,6-triphenyl-1H-pyridin-1-ium-2-one?
1,4,6-triphenyl-1H-pyridin-1-ium-2-one has a molecular weight of 324.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-triphenyl-1H-pyridin-1-ium-2-one is sourced from PubChem (CID 100998592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).