Cas no 106456-81-9 (meso-Tetra4-(allyloxy)phenylporphine)

meso-Tetra4-(allyloxy)phenylporphine structure
106456-81-9 structure
Product Name:meso-Tetra4-(allyloxy)phenylporphine
CAS No:106456-81-9
MF:C56H46N4O4
MW:838.988853931427
CID:127160
Update Time:2024-01-25

meso-Tetra4-(allyloxy)phenylporphine Chemical and Physical Properties

Names and Identifiers

    • 21H,23H-Porphine,5,10,15,20-tetrakis[4-(2-propen-1-yloxy)phenyl]-
    • 5,10,15,20-tetrakis(4-prop-2-enoxyphenyl)-21,22-dihydroporphyrin
    • 474525_SIAL
    • 5 10 15 20-TETRAKIS(4-(ALLYLOXY)PHENYL)&
    • 5,10,15,20-tetra(4'-allylhydroxyphenyl)porphyrin
    • 5,10,15,20-Tetrakis[4-(allyloxy)phenyl]-21H,23H-porphine
    • AC1NP3RD
    • ACMC-20ma5n
    • CTK4A4538
    • meso-tetrakis[4-(allyloxy)phenyl]porphyrin
    • meso-tetrakis< 4-(allyloxy)phenyl> porphyrin
    • SureCN2429223
    • tetra(4-allyloxyphenyl)porphine
    • 5,10,15,20-tetrakis(4-(allyloxy)phenyl)-21H,23H-P
    • meso-Tetra[4-(allyloxy)phenyl] porphine chloride
    • 21H,23H-Porphine, 5,10,15,20-tetrakis[4-(2-propen-1-yloxy)phenyl]-
    • meso-Tetra[4-(allyloxy)phenyl]porphine
    • meso-Tetra4-(allyloxy)phenylporphine
    • Inchi: 1S/C56H46N4O4/c1-5-33-61-41-17-9-37(10-18-41)53-45-25-27-47(57-45)54(38-11-19-42(20-12-38)62-34-6-2)49-29-31-51(59-49)56(40-15-23-44(24-16-40)64-36-8-4)52-32-30-50(60-52)55(48-28-26-46(53)58-48)39-13-21-43(22-14-39)63-35-7-3/h5-32,57,60H,1-4,33-36H2/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-
    • InChI Key: TXPIYPFMEBQQFI-YFLSTINXSA-N
    • SMILES: C1(C2=CC=C(OCC=C)C=C2)=C2N=C(C(C3=CC=C(OCC=C)C=C3)=C3NC(=C(C4=CC=C(OCC=C)C=C4)C4=NC(=C(C5=CC=C(OCC=C)C=C5)C5NC1=CC=5)C=C4)C=C3)C=C2 |c:26,t:11,29,44|

Computed Properties

  • Exact Mass: 836.33652
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 64
  • Rotatable Bond Count: 16
  • Complexity: 1390
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 12.9

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.200±0.06 g/cm3(Predicted)
  • Melting Point: 270-275℃
  • PSA: 88.48
  • LogP: 9.12540
  • Solubility: Not determined

meso-Tetra4-(allyloxy)phenylporphine Pricemore >>

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