917985-54-7 Purity
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Specification
The molecular formula is C48H24Cl2N8Si.
The molecular weight is 811.7 g/mol.
It was created on October 7, 2005, and last modified on December 2, 2023.
The IUPAC name is 54,54-dichloro-13,26,39,52,53,55,56,57-octaza-54-silatetradecacyclo[25.25.3.1 14,25 .1 40,51 .0 2,11 .0 4,9 .0 12,53 .0 15,24 .0 17,22 .0 28,37 .0 30,35 .0 38,55 .0 41,50 .0 43,48 ]heptapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25(57),26,28,30,32,34,36,38,40(56),41,43,45,47,49,51-heptacosaene.
The InChI is InChI=1S/C48H24Cl2N8Si/c49-59(50)57-45-37-21-29-13-5-6-14-30(29)22-38(37)47(57)55-43-35-19-27-11-3-4-12-28(27)20-36(35)44(52-43)56-48-40-24-32-16-8-7-15-31(32)23-39(40)46(58(48)59)54-42-34-18-26-10-2-1-9-25(26)17-33(34)41(51-42)53-45/h1-24H.
The InChIKey is XIINLOVCJKUOQC-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C2C=C3C(=CC2=C1)C4=NC5=C6C=C7C=CC=CC7=CC6=C8N5[Si](N9C(=NC3=N4)C1=CC2=CC=CC=C2C=C1C9=NC1=NC(=N8)C2=CC3=CC=CC=C3C=C21)(Cl)Cl.
The CAS number is 6691-60-7.
The European Community (EC) number is 632-996-3.
The formal charge is 0.