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1,1,2,3,4,5-Hexaphenylsilole

Catalog Number ACM752283
CAS Number 752-28-3
Synonyms 1,1,2,3,4,5-Hexaphenylsilacyclopenta-2,4-diene
IUPAC Name 1,1,2,3,4,5-hexakis-phenylsilole
Molecular Weight 538.77
Molecular Formula C40H30Si
Canonical SMILES C1=CC=C(C=C1)C2=C([Si](C(=C2C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
InChI InChI=1S/C40H30Si/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)41(35-27-15-5-16-28-35,36-29-17-6-18-30-36)39(37)33-23-11-3-12-24-33/h1-30H
InChI Key QAKMXYFDVPDIPT-UHFFFAOYSA-N
Boiling Point 193.0 - 197.0 °C
Melting Point 674.1 ± 55.0 °C
Purity >98.0%(GC)
Density 1.18 ± 0.1 g/ml
Appearance White to yellow to green powder to crystal
Storage Room temperature (Recommended in a cool and dark place, <15°C)
Complexity 827
Condition To Avoid Air Sensitive
Exact Mass 538.211677g/mol
Formal Charge 0
Heavy Atom Count 41
Monoisotopic Mass 538.211677g/mol
Pubchem SID 253660157
Reaxys Registry Number 61127
Rotatable Bond Count 6

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