Tetrabutylammonium 4,6-bis(phenylethynyl)-5-oxylato-5h-dibenzophosphole 5-oxide | SBID = 1970 | 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: 0.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C44H52NO2P
M / g/mol: 657.862941000001
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: Tetrabutylammonium 4,6-bis(phenylethynyl)-5-oxylato-5h-dibenzophosphole 5-oxide
  • Preferred Abbreviation: Tetrabutylammonium 4,6-bis(phenylethynyl)-5-oxylato-5h-dibenzophosphole 5-oxide
  • IUPAC Name:
  • CAS:
  • CID: -845
  • InChiKey: POCYKZSGQQJENN-UHFFFAOYSA-M
  • InChi: InChI=1S/C28H17O2P.C16H36N/c29-31(30)27-23(19-17-21-9-3-1-4-10-21)13-7-15-25(27)26-16-8-14-24(28(26)31)20-18-22-11-5-2-6-12-22;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-16H,(H,29,30);5-16H2,1-4H3/q;+1/p-1
  • CanoSmiles: [O-]P1(=O)c2c(cccc2-c2c1c(ccc2)C#Cc1ccccc1)C#Cc1ccccc1.CCCC[N+](CCCC)(CCCC)CCCC
  • IsoSmiles: O=P1([O-])C2=C(C#CC3=CC=CC=C3)C=CC=C2C4=CC=CC(C#CC5=CC=CC=C5)=C41.CCCC[N+](CCCC)(CCCC)CCCC