2,2'-Diphenyl-(2,2'-biindan)-1,1',3,3'-tetrone
Basic information
- CAS
1801-21-4- Standard SMILES
O=C1c2ccccc2C(=O)C1(c1ccccc1)C1(c2ccccc2)C(=O)c2ccccc2C1=O- InChIKey
PHJGSPFWJMKOIG-UHFFFAOYSA-N- Molecular formula
- C30H18O4
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.12050905
Names & identifiers
- Preferred name
- 2,2'-Diphenyl-(2,2'-biindan)-1,1',3,3'-tetrone
- IUPAC
- 2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione
Names & synonyms
5PFN7DDK5I(2,2'-BIINDAN)-1,1',3,3'-TETRONE, 2,2'-DIPHENYL-1801-21-4NSC 106668BRN 20226102,2'-Diphenyl-(2,2'-biindan)-1,1',3,3'-tetroneUNII-5PFN7DDK5INSC-106668(2,2'-Bi-1H-indene)-1,1',3,3'(2H,2'H)-tetrone, 2,2'-diphenyl-DTXSID201709163-07-00-04822 (Beilstein Handbook Reference)2,2'-DIPHENYL(2,2'-BI-1H-INDENE)-1,1',3,3'(2H,2'H)-TETRONE
Show more names
2,2'-Diphenyl[2,2'-bi-1H-indene]-1,1',3,3'(2H,2'H)-tetroneRefChem:197257DTXCID2093407NSC106668CHEMBL2810322,2'-Diphenyl-1H,1'H-[2,2'-biindene]-1,1',3,3'(2H,2'H)-tetrone
Database identifiers
- CAS
1801-21-4- PubChem CID
- 15727
- DTXSID
DTXSID20170916- ChEMBL
CHEMBL281032- UNII
- 5PFN7DDK5I
- Nikkaji
- J590.168E
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 754
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Compound notes
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