1(3H)-Isobenzofuranone, 3-[4-(dimethylamino)phenyl]-3-(diphenylamino)-

HCID 106771
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Basic information

CAS
67697-69-2
Standard SMILES
CN(C)c1ccc(C2(N(c3ccccc3)c3ccccc3)OC(=O)c3ccccc32)cc1
InChIKey
CJHMJVWTJNXUPY-UHFFFAOYSA-N
Molecular formula
C28H24N2O2
Average molar mass
420.5 g/mol
Monoisotopic mass
420.18377801

Names & identifiers

Preferred name
1(3H)-Isobenzofuranone, 3-[4-(dimethylamino)phenyl]-3-(diphenylamino)-
IUPAC
3-[4-(dimethylamino)phenyl]-3-(N-phenylanilino)-2-benzofuran-1-one
English name
3-[4-(dimethylamino)phenyl]-3-(diphenylamino)phthalide
Molecular formula
C28H24N2O2
Molecular weight
420.5

Names & synonyms

EINECS 266-913-31(3H)-Isobenzofuranone, 3-[4-(dimethylamino)phenyl]-3-(diphenylamino)-DTXSID808868641(3H)-Isobenzofuranone, 3-(4-(dimethylamino)phenyl)-3-(diphenylamino)-RefChem:408842DTXCID80102618267697-69-2SCHEMBL11377272NS000555193-(4-(Dimethylamino)phenyl)-3-(diphenylamino)phthalide3-[4-(dimethylamino)-phenyl]-3-(diphenylamino)phthalide3-[4-(Dimethylamino)phenyl]-3-(diphenylamino)-2-benzofuran-1(3H)-one
Show more names
3-[4-(dimethylamino)phenyl]-3-(diphenylamino)phthalide3-[4-(Dimethylamino)phenyl]-3-(diphenylamino)isobenzofuran-1(3H)-one

Database identifiers

CAS
67697-69-2
PubChem CID
106771
DTXSID
DTXSID80886864
EC Number
266-913-3
Nikkaji
J333.314K

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
32

Physicochemical properties

Boiling point
622.1 · 622.1±55.0 °C(Predicted)
Density
1.248 · 1.248±0.06 g/cm3(Predicted)
pka
4.55 · 4.55±0.24(Predicted)
EPA Substance Registry System
1 · 1(3H)-Isobenzofuranone, 3-[4-(dimethylamino)phenyl]-3-(diphenylamino)- (67697-69-2)
TSCA
TSCA listed

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1(3H)-Isobenzofuranone, 3-[4-(dimethylamino)phenyl]-3-(diphenylamino)-: INACTIVE

Related reactions

1 records
New reaction record

Compound notes

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