5-(2,4,6-triphenylpyridin-1-ium-1-yl)naphthalen-1-olate

C33H23NO — CID 142748322

IUPAC5-(2,4,6-triphenylpyridin-1-ium-1-yl)naphthalen-1-olate
SMILES[O-]c1cccc2c(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cccc12
InChIInChI=1S/C33H23NO/c35-33-21-11-18-28-29(33)19-10-20-30(28)34-31(25-14-6-2-7-15-25)22-27(24-12-4-1-5-13-24)23-32(34)26-16-8-3-9-17-26/h1-23H
InChIKeyWZIINEDKIQAKLN-UHFFFAOYSA-N
MW449.55 g/mol
LogP7.19
Rot. Bonds4

About 5-(2,4,6-triphenylpyridin-1-ium-1-yl)naphthalen-1-olate

5-(2,4,6-triphenylpyridin-1-ium-1-yl)naphthalen-1-olate (PubChem CID 142748322) has the molecular formula C33H23NO and a molecular weight of 449.55 g/mol. Its IUPAC name is 5-(2,4,6-triphenylpyridin-1-ium-1-yl)naphthalen-1-olate.

Molecular Properties

Compound Name5-(2,4,6-triphenylpyridin-1-ium-1-yl)naphthalen-1-olate
PubChem CID142748322
Molecular FormulaC33H23NO
Molecular Weight449.55 g/mol
Exact Mass449.18
IUPAC Name5-(2,4,6-triphenylpyridin-1-ium-1-yl)naphthalen-1-olate
SMILES[O-]c1cccc2c(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cccc12
InChIInChI=1S/C33H23NO/c35-33-21-11-18-28-29(33)19-10-20-30(28)34-31(25-14-6-2-7-15-25)22-27(24-12-4-1-5-13-24)23-32(34)26-16-8-3-9-17-26/h1-23H
InChIKeyWZIINEDKIQAKLN-UHFFFAOYSA-N
XLogP7.19
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate
CID 135121618
2-chloro-4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate
CID 142748320
2-methyl-1,4,6-triphenylpyridin-1-ium
CID 3702073
2-methyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium perchlorate
CID 12627142
2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
CID 44888468
oxido(trioxo)rhenium;1,2,4,6-tetraphenylpyridin-1-ium
CID 21324133
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
1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate
CID 13016817
carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium
CID 160651520
1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium
CID 102227143
3-methyl-5-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,2-thiazole
CID 3337384

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,6-triphenylpyridin-1-ium-1-yl)naphthalen-1-olate?
The IUPAC name of 5-(2,4,6-triphenylpyridin-1-ium-1-yl)naphthalen-1-olate (CID 142748322) is 5-(2,4,6-triphenylpyridin-1-ium-1-yl)naphthalen-1-olate.
What is the SMILES notation for 5-(2,4,6-triphenylpyridin-1-ium-1-yl)naphthalen-1-olate?
The canonical SMILES for 5-(2,4,6-triphenylpyridin-1-ium-1-yl)naphthalen-1-olate is [O-]c1cccc2c(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cccc12.
What is the InChIKey of 5-(2,4,6-triphenylpyridin-1-ium-1-yl)naphthalen-1-olate?
The InChIKey is WZIINEDKIQAKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NO/c35-33-21-11-18-28-29(33)19-10-20-30(28)34-31(25-14-6-2-7-15-25)22-27(24-12-4-1-5-13-24)23-32(34)26-16-8-3-9-17-26/h1-23H.
What are the key properties of 5-(2,4,6-triphenylpyridin-1-ium-1-yl)naphthalen-1-olate?
5-(2,4,6-triphenylpyridin-1-ium-1-yl)naphthalen-1-olate has a molecular weight of 449.55 g/mol, XLogP of 7.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-triphenylpyridin-1-ium-1-yl)naphthalen-1-olate is sourced from PubChem (CID 142748322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).