Marvin  09140911552D          

 25 28  0  0  0  0            999 V2000
   12.1757   -8.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7632   -8.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7631   -7.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382   -8.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382   -7.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5257   -8.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6839   -6.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3517   -6.2502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0187   -6.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8037   -6.4816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8995   -6.4789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1757   -9.6628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5257   -9.6628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0008   -9.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4133   -8.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4133  -10.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2383   -8.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2383  -10.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6508   -9.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7007   -9.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2882  -10.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -8.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4631  -10.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4631   -8.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0506   -9.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  1  0  0  0  0
  5  7  1  0  0  0  0
  9  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
  7 11  2  0  0  0  0
  2 12  1  0  0  0  0
  4 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 19 18  2  0  0  0  0
 12 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 25 24  2  0  0  0  0
 13 20  1  0  0  0  0
M  END
> <ID>
CHEBI:53110

> <NAME>
4,5-dianilinophthalimide

> <DEFINITION>
Phthalimide substituted at the 4- and 5-positions by anilino groups.

> <STAR>
3

> <SYNONYM>
DAPH; Cgp 52411

> <IUPAC_NAME>
5,6-bis(phenylamino)-1H-isoindole-1,3(2H)-dione

> <FORMULA>
C20H15N3O2

> <MASS>
329.35200

> <MONOISOTOPIC_MASS>
329.11643

> <CHARGE>
0

> <SMILES>
O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12

> <INCHI>
InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)

> <INCHIKEY>
AAALVYBICLMAMA-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
8134396

> <CAS_REGISTRY_NUMBER>
145915-58-8

> <CHEMIDPLUS>
145915-58-8

> <LINCS_ACCESSION>
LSM-5309

> <PUBMED_CITATION>
24134630; 8134396

$$$$