Hexaphenylbenzene - CAS 992-04-1
Catalog: |
BB042268 |
Product Name: |
Hexaphenylbenzene |
CAS: |
992-04-1 |
Synonyms: |
1,2,3,4,5,6-hexakis-phenylbenzene |
IUPAC Name: | 1,2,3,4,5,6-hexakis-phenylbenzene |
Description: | Hexaphenylbenzene was used as a modifier/additive to the synthesis of poly (ether sulfone) membranes (PHP) for the use as proton exchange membrane fuel cells. |
Molecular Weight: | 534.69 |
Molecular Formula: | C42H30 |
Canonical SMILES: | C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7 |
InChI: | InChI=1S/C42H30/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33/h1-30H |
InChI Key: | QBHWPVJPWQGYDS-UHFFFAOYSA-N |
Boiling Point: | 547.47 °C (rough estimate) |
Melting Point: | >300 °C (lit.) |
Purity: | 98 % |
Density: | 1.111 g/cm3 |
Appearance: | White to orange to green powder to crystal |
MDL: | MFCD00003057 |
LogP: | 11.68860 |
Refractive Index: | 1.4690 (estimate) |
Publication Number | Title | Priority Date |
CN-111659360-A | Sheet-shaped hexachlorocyclotriphosphazene-p-phenylenediamine polycondensate adsorbing material and preparation method and application thereof | 20200714 |
CN-111659360-B | Sheet-shaped hexachlorocyclotriphosphazene-p-phenylenediamine polycondensate adsorbing material and preparation method and application thereof | 20200714 |
WO-2021211982-A2 | Regioselective synthesis of substituted compounds | 20200417 |
WO-2021206120-A1 | Lithium secondary battery and electrolytic solution for lithium secondary battery | 20200409 |
WO-2021193909-A1 | Polymer, test agent, analyte concentration measuring method, and analyte concentration measuring instrument | 20200326 |
PMID | Publication Date | Title | Journal |
22280540 | 20120217 | Recognition of adenosine monophosphate and H2PO4- using zinc ensemble of new hexaphenylbenzene derivative: potential bioprobe and multichannel keypad system | Organic letters |
21913634 | 20111027 | Structural and thermodynamic characterization of polyphenylbenzenes | The journal of physical chemistry. A |
21796300 | 20110901 | Heterogeneous bilayer molecular structure at a liquid-solid interface | Nanoscale |
21589979 | 20110628 | Hexaphenylbenzene-based polymers of intrinsic microporosity | Chemical communications (Cambridge, England) |
21103456 | 20110207 | C60-induced alkyne-alkyne coupling and alkyne scission reactions of a tungsten tris(diphenylacetylene) complex | Chemical communications (Cambridge, England) |
Complexity: | 579 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 534.234750957 |
Formal Charge: | 0 |
Heavy Atom Count: | 42 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 534.234750957 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 11.7 |
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