Cas no 106296-54-2 (2,2',2''-(Benzene-1,3,5-triyltris(methylene))tris(isoindoline-1,3-dione))

2,2',2''-(Benzene-1,3,5-triyltris(methylene))tris(isoindoline-1,3-dione) structure
106296-54-2 structure
Product Name:2,2',2''-(Benzene-1,3,5-triyltris(methylene))tris(isoindoline-1,3-dione)
CAS No:106296-54-2
MF:C33H21N3O6
MW:555.536348104477
CID:2873331
Update Time:2023-08-10

2,2',2''-(Benzene-1,3,5-triyltris(methylene))tris(isoindoline-1,3-dione) Chemical and Physical Properties

Names and Identifiers

    • 2,2',2''-(Benzene-1,3,5-triyltris(methylene))tris(isoindoline-1,3-dione)
    • Inchi: 1S/C33H21N3O6/c37-28-22-7-1-2-8-23(22)29(38)34(28)16-19-13-20(17-35-30(39)24-9-3-4-10-25(24)31(35)40)15-21(14-19)18-36-32(41)26-11-5-6-12-27(26)33(36)42/h1-15H,16-18H2
    • InChI Key: DCZZUTHVTANFLG-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2C(N1CC1C=C(C=C(C=1)CN1C(C2C=CC=CC=2C1=O)=O)CN1C(C2C=CC=CC=2C1=O)=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 6
  • Complexity: 958
  • XLogP3: 3.3
  • Topological Polar Surface Area: 112
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