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(5-cyano-1H-indol-2-yl)methyl-triphenylphosphanium

HCID 21844284
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccc2[nH]c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2c1
InChIKey
OWATWGBMQUIMOE-UHFFFAOYSA-N
Molecular formula
C28H22N2P+
Average molar mass
417.5 g/mol

Names & identifiers

Preferred name
(5-cyano-1H-indol-2-yl)methyl-triphenylphosphanium
IUPAC
(5-cyano-1H-indol-2-yl)methyl-triphenylphosphanium

Database identifiers

PubChem CID
21844284

Properties

Computed structural properties

XLogP
6
Topological polar surface area
39.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
31
Formal charge
1
Complexity
575

Related reactions

2 records
New reaction record
HRID 833575 reaction equation
HRID 833575As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1130920 reaction equation
HRID 1130920As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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