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4-((4-Phenylphthalazin-1-yl)amino)phenol

HCID 2869168
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Oc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1
InChIKey
URLQPCADGXZSCA-UHFFFAOYSA-N
Molecular formula
C20H15N3O
Average molar mass
313.4 g/mol

Names & identifiers

Preferred name
4-((4-Phenylphthalazin-1-yl)amino)phenol
IUPAC
4-[(4-phenylphthalazin-1-yl)amino]phenol

Names & synonyms

333776-18-44-((4-phenylphthalazin-1-yl)amino)phenol4-[(4-phenylphthalazin-1-yl)amino]phenol4-(4-phenylphthalazin-1-ylamino)phenolOprea1_360500Oprea1_499536SCHEMBL581896CHEMBL2313494URLQPCADGXZSCA-UHFFFAOYSA-NSTK877965AKOS005611472DA-06757
Show more names
4-[(4-phenyl-1-phthalazinyl)amino]phenolAG-690/12891918

Database identifiers

PubChem CID
2869168
ChEMBL
CHEMBL2313494

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
58 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Formal charge
0
Complexity
390

Related reactions

11 records
New reaction record
HRID 227796 reaction equation
HRID 227796As productuspto-grants-2009_07
HRID 227797 reaction equation
HRID 227797As reactantuspto-grants-2009_07
HRID 593974 reaction equation
HRID 593974As productuspto-grants-2016_01
HRID 593975 reaction equation
HRID 593975As reactantuspto-grants-2016_01
HRID 798820 reaction equation
HRID 798820As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 911159 reaction equation
HRID 911159As productuspto-grants-2011_09
HRID 911160 reaction equation
HRID 911160As reactantuspto-grants-2011_09
HRID 1214186 reaction equation
HRID 1214186As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
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Compound notes

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