515834-67-0 Purity
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Specification
The PubChem CID of the compound BSBF is 57373041.
The molecular formula of BSBF is C50H30.
The molecular weight of BSBF is 630.8 g/mol.
BSBF was created on July 13, 2012, and last modified on December 30, 2023.
The IUPAC name of BSBF is 2-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene].
The InChI of BSBF is InChI=1S/C50H30/c1-7-19-41-33(13-1)34-14-2-8-20-42(34)49(41)45-23-11-5-17-37(45)39-27-25-31(29-47(39)49)32-26-28-40-38-18-6-12-24-46(38)50(48(40)30-32)43-21-9-3-15-35(43)36-16-4-10-22-44(36)50/h1-30H.
The InChIKey of BSBF is RASFLGVDOLMZBD-UHFFFAOYSA-N.
The canonical SMILES of BSBF is C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)C7=CC8=C(C=C7)C9=CC=CC=C9C81C2=CC=CC=C2C2=CC=CC=C12.
The XLogP3-AA value of BSBF is 12.5.
BSBF has 0 hydrogen bond donor counts and 0 hydrogen bond acceptor counts.