4-Phenyl-1(2H)-phthalazinone

C14H10N2OCAS 5004-45-5222.25 g/mol

Open in Covalent MOL file
NNHO

Properties

Molecular formula
C14H10N2O
Molar mass
222.25 g/mol
Exact mass
222.0793 Da
logP
2.59Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 68 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5004-45-5
SMILES
C1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32
InChIKey
XCJLBNVENUPHEA-UHFFFAOYSA-N
InChI
InChI=1S/C14H10N2O/c17-14-12-9-5-4-8-11(12)13(15-16-14)10-6-2-1-3-7-10/h1-9H,(H,16,17)

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Names and synonyms

1 names
  • 4-Phenyl-1-(2H)-phthalazinone

Work with 4-Phenyl-1(2H)-phthalazinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Hydroxy-3-phenylpyrazine2882-18-046 % similar 5-Chloro-6-phenylpyridazin-3-ol51660-08-345 % similar 2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid25947-11-944 % similar Phenylisoquinoline3297-72-137 % similar 2,3-Diphenylquinoxaline1684-14-634 % similar 2-Chloro-4-phenylquinazoline29874-83-734 % similar 9,10-Diphenylanthracene1499-10-133 % similar 2,4,5-Triphenylimidazole484-47-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Azibenzil3469-17-8 3-Formyl-2-phenylimidazo[1,2-a]pyridine3672-39-7 2,5-Diphenyl-1,3,4-oxadiazole725-12-2

Elsewhere

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