1451390-92-3 Purity
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Specification
The molecular formula is C34H23BO2.
The molecular weight is 474.4 g/mol.
It was computed by PubChem 2.1.
The IUPAC name is (9,10-dinaphthalen-1-ylanthracen-2-yl)boronic acid.
The InChI is "InChI=1S/C34H23BO2/c36-35(37)24-19-20-31-32(21-24)34(28-18-8-12-23-10-2-4-14-26(23)28)30-16-6-5-15-29(30)33(31)27-17-7-11-22-9-1-3-13-25(22)27/h1-21,36-37H".
The InChIKey is "ZDUDFKLIZTVUIT-UHFFFAOYSA-N".
The canonical SMILES is "B(C1=CC2=C(C3=CC=CC=C3C(=C2C=C1)C4=CC=CC5=CC=CC=C54)C6=CC=CC7=CC=CC=C76)(O)O".
There are 2 hydrogen bond donor counts.
There are 2 hydrogen bond acceptor counts.
The topological polar surface area is 40.5Ų.