Cas no 27873-89-8 ([1,1':2',1''-Terphenyl]-3',4'-dicarboxylicacid, 5',6'-diphenyl- (9CI))

[1,1':2',1''-Terphenyl]-3',4'-dicarboxylicacid, 5',6'-diphenyl- (9CI) structure
27873-89-8 structure
Product Name:[1,1':2',1''-Terphenyl]-3',4'-dicarboxylicacid, 5',6'-diphenyl- (9CI)
CAS No:27873-89-8
MF:C32H22O4
MW:470.514688968658
CID:258510
PubChem ID:268709
Update Time:2025-04-19

[1,1':2',1''-Terphenyl]-3',4'-dicarboxylicacid, 5',6'-diphenyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • [1,1':2',1''-Terphenyl]-3',4'-dicarboxylicacid, 5',6'-diphenyl- (9CI)
    • 3,4,5,6-tetraphenylphthalic acid
    • 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetraphenyl-
    • Phthalicacid, tetraphenyl- (6CI)
    • Tetraphenylphthalic acid
    • 5',6'-Diphenyl-[1,1':2',1''-terphenyl]-3',4'-dicarboxylicacid
    • 5',6'-Diphenyl-[1,1':2',1''-terphenyl]-3',4'-dicarboxylic acid
    • 27873-89-8
    • DTXSID10296391
    • Inchi： 1S/C32H22O4/c33-31(34)29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30(29)32(35)36)24-19-11-4-12-20-24/h1-20H,(H,33,34)(H,35,36)
    • InChI Key： WCMNSFIBXDIFIR-UHFFFAOYSA-N
    • SMILES： OC(C1C(C(=O)O)=C(C2C=CC=CC=2)C(C2C=CC=CC=2)=C(C2C=CC=CC=2)C=1C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 470.15186
  • Monoisotopic Mass: 470.152
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 6
  • Complexity: 662
  • 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: 7.5
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.6

[1,1':2',1''-Terphenyl]-3',4'-dicarboxylicacid, 5',6'-diphenyl- (9CI) Related Literature

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