phosphated tetraphenylethylene | SBID = 1328 | Compound | Custom Molecule

Struc Structure

Download Image

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 4.0
Number of H-Bond Acceptors: 8.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C26H22O8P2
M / g/mol: 524.395602
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: phosphated tetraphenylethylene
  • Preferred Abbreviation: P-TPE
  • IUPAC Name:
  • CAS:
  • CID: -470
  • InChiKey: AHEKEONWUHBVNV-UHFFFAOYSA-N
  • InChi: InChI=1S/C26H22O8P2/c27-35(28,29)33-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(18-14-22)34-36(30,31)32/h1-18H,(H2,27,28,29)(H2,30,31,32)
  • CanoSmiles: OP(=O)(Oc1ccc(cc1)/C(=C(/c1ccc(cc1)OP(=O)(O)O)\c1ccccc1)/c1ccccc1)O
  • IsoSmiles: OP(OC(C=C1)=CC=C1/C(C2=CC=CC=C2)=C(C3=CC=C(OP(O)(O)=O)C=C3)\C4=CC=CC=C4)(O)=O