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Triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium

HCID 370918
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC)c1OC
InChIKey
QZIICHLCCKVZOF-UHFFFAOYSA-N
Molecular formula
C28H28O3P+
Average molar mass
443.5 g/mol

Names & identifiers

Preferred name
Triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium
IUPAC
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium

Names & synonyms

NCI60_015134SCHEMBL1414593CHEMBL2008661SCHEMBL27627324AKOS015958334

Database identifiers

PubChem CID
370918
ChEMBL
CHEMBL2008661
Nikkaji
J1.422.976K

Properties

Computed structural properties

XLogP
6
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
32
Formal charge
1
Complexity
477

Related reactions

4 records
New reaction record
HRID 312876 reaction equation
HRID 312876As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 807070 reaction equation
HRID 807070As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1132151 reaction equation
HRID 1132151As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1560213 reaction equation
HRID 1560213As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes