N,N'-bis(2-dimethylammonioethyl)-perylene diimide | SBID = 2125 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 74.76
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.31
Charge: 2.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C32H30N4O4++
M / g/mol: 534.61
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: N,N'-bis(2-dimethylammonioethyl)-perylene diimide
  • Preferred Abbreviation: DMAE-PDI dication
  • IUPAC Name:
  • CAS:
  • CID: -937
  • InChiKey: SGTIPCSEJAOIMZ-UHFFFAOYSA-P
  • InChi: InChI=1S/C32H28N4O4/c1-33(2)13-15-35-29(37)21-9-5-17-19-7-11-23-28-24(32(40)36(31(23)39)16-14-34(3)4)12-8-20(26(19)28)18-6-10-22(30(35)38)27(21)25(17)18/h5-12H,13-16H2,1-4H3/p+2
  • CanoSmiles: O=C1N(CC[NH+](C)C)C(=O)c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2)C(=O)N(C1=O)CC[NH+](C)C
  • IsoSmiles: O=C(N(CC[N+](C)([H])C)C6=O)C5=CC=C(C4=C3C=CC6=C45)C2=C1C3=CC=C(C(N(CC[N+](C)([H])C)C7=O)=O)C1=C7C=C2