3,5-Bis(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole - CAS 203799-76-2
Catalog: |
BB015871 |
Product Name: |
3,5-Bis(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole |
CAS: |
203799-76-2 |
Synonyms: |
3,5-bis(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole |
Application: |
OLED electron transporter material. |
IUPAC Name: | 3,5-bis(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole |
Description: | OLED electron transporter material. |
Molecular Weight: | 409.57 |
Molecular Formula: | C28H31N3 |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C |
InChI: | InChI=1S/C28H31N3/c1-27(2,3)22-16-12-20(13-17-22)25-29-30-26(31(25)24-10-8-7-9-11-24)21-14-18-23(19-15-21)28(4,5)6/h7-19H,1-6H3 |
InChI Key: | ADENFOWRGOZGCW-UHFFFAOYSA-N |
Melting Point: | 224-229 °C |
Purity: | 95 % |
Density: | 1.03 g/cm3 |
Appearance: | White to tan solid, powder, crystals, crystalline powder and/or chunks |
MDL: | MFCD01310667 |
LogP: | 7.19630 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112018267-A | Display panel, display device and preparation method | 20200910 |
US-2021104689-A1 | Organic light-emitting device and apparatus including the same | 20191004 |
CN-111718716-A | Nanostructures with inorganic ligands for electroluminescent devices | 20190320 |
JP-2020180278-A | Nanostructures with inorganic ligands for electroluminescence devices | 20190320 |
KR-20200112724-A | Nanostructures with inorganic ligands for electroluminescent devices | 20190320 |
Complexity: | 510 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 409.251798002 |
Formal Charge: | 0 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 409.251798002 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 30.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.8 |
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