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CAS Number: 173613-63-3
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Structure

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Name: A name could not be generated for this structure.
Synonyms:
General Information
Product Number: 173613633

CAS Registry Number 173613-63-3
Name:
21H,​23H-​Porphine, 5,​15-​bis[3,​5-​bis(1,​1-​dimethylethyl)​phenyl]​-
5,15-Bis(3,5-di-tert-butylphenyl)porphine
5,15-Bis(3,5-di-tert-butylphenyl)porphyrin

 

Chemical Formula: C48H54N4
Exact Mass: 686.43
Molecular Weight: 686.97
m/z: 686.43 (100.0%), 687.44 (52.5%), 688.44 (14.3%), 689.44 (2.4%), 687.43 (1.5%)

 

InChI:InChI=1S/C48H54N4/c1-45(2,3)31-21-29(22-32(25-31)46(4,5)6)43-39-17-13-35(49-39)27-37-15-19-41(51-37)44(42-20-16-38(52-42)28-36-14-18-40(43)50-36)30-23-33(47(7,8)9)26-34(24-30)48(10,11)12/h13-28,49-50H,1-12H3

InChI Key:HDZLWIFJBMLXKH-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C=C4)N3)C(C)(C)C

 

Thermal Properties Value Condition Note
Melting Point >300 °C   (1)CAS

Specification

98%

References

(1) Bonifazi, Davide; Helvetica Chimica Acta 2005, V88(7), P1839-1884 CAPLUS

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