Cas no 70351-89-2 (Triphenylene, 2,3,6,7,10,11-hexakis(decyloxy)-)

Triphenylene, 2,3,6,7,10,11-hexakis(decyloxy)- structure
70351-89-2 structure
Product Name:Triphenylene, 2,3,6,7,10,11-hexakis(decyloxy)-
CAS No:70351-89-2
MF:C78H132O6
MW:1165.87910556793
CID:547390
PubChem ID:15531609
Update Time:2025-04-19

Triphenylene, 2,3,6,7,10,11-hexakis(decyloxy)- Chemical and Physical Properties

Names and Identifiers

    • Triphenylene, 2,3,6,7,10,11-hexakis(decyloxy)-
    • 2,3,6,7,10,11-Hexakis[decyloxy]triphenylene
    • 70351-89-2
    • DTXSID90573738
    • 2,3,6,7,10,11-hexakis-decoxytriphenylene
    • 2,3,6,7,10,11-HEXAKIS(DECYLOXY)TRIPHENYLENE
    • Inchi: 1S/C78H132O6/c1-7-13-19-25-31-37-43-49-55-79-73-61-67-68(62-74(73)80-56-50-44-38-32-26-20-14-8-2)70-64-76(82-58-52-46-40-34-28-22-16-10-4)78(84-60-54-48-42-36-30-24-18-12-6)66-72(70)71-65-77(83-59-53-47-41-35-29-23-17-11-5)75(63-69(67)71)81-57-51-45-39-33-27-21-15-9-3/h61-66H,7-60H2,1-6H3
    • InChI Key: DQGLNLGTNXALAM-UHFFFAOYSA-N
    • SMILES: O(CCCCCCCCCC)C1=C(C=C2C3C=C(C(=CC=3C3C=C(C(=CC=3C2=C1)OCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC

Computed Properties

  • Exact Mass: 1165.00296
  • Monoisotopic Mass: 1165.00239193g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 84
  • Rotatable Bond Count: 60
  • Complexity: 1130
  • 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
  • XLogP3: 31.7
  • Topological Polar Surface Area: 55.4?2

Experimental Properties

  • PSA: 55.38
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