N,N’-bis-(L/D)phenylalanyl perylene diimides | SBID = 1734 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 8.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C42H26N2O8
M / g/mol: 686.66444
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, typical guest, dye
  • Name: N,N’-bis-(L/D)phenylalanyl perylene diimides
  • Preferred Abbreviation: (D/L)-Phe-perylene-diimides
  • IUPAC Name:
  • CAS:
  • CID: -690
  • InChiKey: DDUJXWCUWFWCHX-UHFFFAOYSA-N
  • InChi: InChI=1S/C42H26N2O8/c45-37-27-15-11-23-25-13-17-29-36-30(40(48)44(39(29)47)32(42(51)52)20-22-9-5-2-6-10-22)18-14-26(34(25)36)24-12-16-28(35(27)33(23)24)38(46)43(37)31(41(49)50)19-21-7-3-1-4-8-21/h1-18,31-32H,19-20H2,(H,49,50)(H,51,52)
  • CanoSmiles: OC(=O)C(N1C(=O)c2ccc3c4c2c(C1=O)ccc4c1c2c3ccc3c2c(cc1)C(=O)N(C3=O)C(C(=O)O)Cc1ccccc1)Cc1ccccc1
  • IsoSmiles: O=C(N(C(C(O)=O)CC1=CC=CC=C1)C2=O)C3=CC=C4C5=C3C2=CC=C5C(C6=C4C=CC7=C68)=CC=C8C(N(C(C(O)=O)CC9=CC=CC=C9)C7=O)=O