Cas no 819067-36-2 (9,9':10',9''-Teranthracene, 10,10''-bis(9,9-dimethyl-9H-fluoren-2-yl)-)

9,9':10',9''-Teranthracene, 10,10''-bis(9,9-dimethyl-9H-fluoren-2-yl)- structure
819067-36-2 structure
Product Name:9,9':10',9''-Teranthracene, 10,10''-bis(9,9-dimethyl-9H-fluoren-2-yl)-
CAS No:819067-36-2
MF:C72H50
MW:915.167418956757
CID:702702
PubChem ID:71420784
Update Time:2025-04-19

9,9':10',9''-Teranthracene, 10,10''-bis(9,9-dimethyl-9H-fluoren-2-yl)- Chemical and Physical Properties

Names and Identifiers

    • 9,9':10',9''-Teranthracene, 10,10''-bis(9,9-dimethyl-9H-fluoren-2-yl)-
    • 9,10-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]anthracene
    • 1~10~,3~10~-Bis(9,9-dimethyl-9H-fluoren-2-yl)-1~9~,2~9~:2~10~,3~9~-teranthracene
    • 819067-36-2
    • DTXSID30839966
    • Inchi: 1S/C72H50/c1-71(2)61-35-19-17-21-45(61)47-39-37-43(41-63(47)71)65-49-23-5-9-27-53(49)67(54-28-10-6-24-50(54)65)69-57-31-13-15-33-59(57)70(60-34-16-14-32-58(60)69)68-55-29-11-7-25-51(55)66(52-26-8-12-30-56(52)68)44-38-40-48-46-22-18-20-36-62(46)72(3,4)64(48)42-44/h5-42H,1-4H3
    • InChI Key: MGXDCOQDSRZZPL-UHFFFAOYSA-N
    • SMILES: C1(C)(C)C2C=CC=CC=2C2C=CC(C3=C4C=CC=CC4=C(C4=CC=CC=C34)C3=C4C=CC=CC4=C(C4=CC=CC=C34)C3=C4C=CC=CC4=C(C4=CC=CC=C34)C3C=CC4C5C=CC=CC=5C(C)(C)C=4C=3)=CC1=2

Computed Properties

  • Exact Mass: 914.391251595g/mol
  • Monoisotopic Mass: 914.391251595g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 72
  • Rotatable Bond Count: 4
  • Complexity: 1680
  • 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: 20.9
  • Topological Polar Surface Area: 0?2
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