CAS
19694-02-1 Purity
>97.0%(GC)(T)
19694-02-1 Purity
>97.0%(GC)(T)
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3,5-Bis(4-tert-butylphenyl)-4-phenyl-4h&
CAS
203799-76-2
Catalog Number
ACM203799762
Category
Organic & Printed Electronics
Molecular Weight
409.6g/mol
Molecular Formula
C28H31N3
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Specification
Synonyms
3,5-BIS(4-TERT-BUTYLPHENYL)-4-PHENYL-4H&;3,5-Bis(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole;3,5-Bis[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazole
IUPAC Name
3,5-bis(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole
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
Complexity
510
Covalently-Bonded Unit Count
1
Exact Mass
409.251798g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
31
Monoisotopic Mass
409.251798g/mol
Rotatable Bond Count
5
XLogP3
7.8
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