98567-12-5 Purity
96%
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Specification
The molecular formula of Dicoronylene is C48H20.
Some synonyms of Dicoronylene are Benzo[1,2,3-bc:4,5,6-b'c']dicoronene and DICORONYLENE.
Dicoronylene was created on 2005-03-28.
The computed IUPAC Name of Dicoronylene is pentadecacyclo[37.7.1.12,10.03,24.04,9.05,22.06,19.07,16.08,13.025,46.027,44.030,43.033,42.036,41.040,45]octatetraconta-1(46),2,4(9),5(22),6(19),7(16),8(13),10(48),11,14,17,20,23,25,27(44),28,30(43),31,33(42),34,36(41),37,39(47),40(45)-tetracosaene.
The InChIKey of Dicoronylene is QOPWDVCEMZLGPK-UHFFFAOYSA-N.
The Canonical SMILES of Dicoronylene is C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=C7C8=CC9=C1C4=C(C=CC5=C4C4=C(C=C5)C=CC5=CC(=C8C1=C54)C1=C7C6=C3C(=C1)C=C2)C=C9.
The CAS number of Dicoronylene is 98570-53-7.
The molecular weight of Dicoronylene is 596.7 g/mol.
The XLogP3-AA value of Dicoronylene is 14.4.
Dicoronylene has 0 hydrogen bond donor counts.