tripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate

C26H20K3O5P — CID 174396592

IUPACtripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate
SMILESC=Cc1c(O)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.O=P([O-])([O-])[O-].[K+].[K+].[K+]
InChIInChI=1S/C26H20O.3K.H3O4P/c1-2-22-24(27)18-23(19-12-6-3-7-13-19)26(21-16-10-5-11-17-21)25(22)20-14-8-4-9-15-20;;;;1-5(2,3)4/h2-18,27H,1H2;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeySJHAVKOVTZDBPS-UHFFFAOYSA-K
MW560.71 g/mol
LogP-4.78
Rot. Bonds4

About tripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate

tripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate (PubChem CID 174396592) has the molecular formula C26H20K3O5P and a molecular weight of 560.71 g/mol. Its IUPAC name is tripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate.

Molecular Properties

Compound Nametripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate
PubChem CID174396592
Molecular FormulaC26H20K3O5P
Molecular Weight560.71 g/mol
Exact Mass560.00
IUPAC Nametripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate
SMILESC=Cc1c(O)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.O=P([O-])([O-])[O-].[K+].[K+].[K+]
InChIInChI=1S/C26H20O.3K.H3O4P/c1-2-22-24(27)18-23(19-12-6-3-7-13-19)26(21-16-10-5-11-17-21)25(22)20-14-8-4-9-15-20;;;;1-5(2,3)4/h2-18,27H,1H2;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeySJHAVKOVTZDBPS-UHFFFAOYSA-K
XLogP-4.78
TPSA106.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.71
LogP ≤ 5-4.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-ethenyl-3,4,5-triphenylbenzene
CID 175315549
3-ethenyl-2,4,6-triphenylphenol
CID 174543439
2-ethenyl-4-phenylbenzene-1,3-diol
CID 151131701
2-(2-hydroxyphenyl)-3,4,5-triphenylphenol
CID 175029537
CID 175980363
CID 175980363
4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol
CID 135173030
1,1'-biphenyl;neodymium(3+);phosphate
CID 87071793
6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde
CID 45097937
methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
CID 161142859
2-(2-hydroxy-4,6-diphenylphenyl)-3,5-diphenylphenol
CID 19797768
2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19931086
4-(4-hydroxy-3-methylphenyl)-2-methyl-3,5-diphenylphenol
CID 88788542

Frequently Asked Questions

What is the IUPAC name of tripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate?
The IUPAC name of tripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate (CID 174396592) is tripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate.
What is the SMILES notation for tripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate?
The canonical SMILES for tripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate is C=Cc1c(O)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.O=P([O-])([O-])[O-].[K+].[K+].[K+].
What is the InChIKey of tripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate?
The InChIKey is SJHAVKOVTZDBPS-UHFFFAOYSA-K. The full InChI is InChI=1S/C26H20O.3K.H3O4P/c1-2-22-24(27)18-23(19-12-6-3-7-13-19)26(21-16-10-5-11-17-21)25(22)20-14-8-4-9-15-20;;;;1-5(2,3)4/h2-18,27H,1H2;;;;(H3,1,2,3,4)/q;3*+1;/p-3.
What are the key properties of tripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate?
tripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate has a molecular weight of 560.71 g/mol, XLogP of -4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;2-ethenyl-3,4,5-triphenylphenol;phosphate is sourced from PubChem (CID 174396592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).