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9,9',10,10'-Tetraphenyl-2,2'-bianthracene - 96%, high purity , CAS No.172285-72-2
Basic Description
Specifications & Purity | ≥96% |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 504769378 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769378 |
IUPAC Name | 2-(9,10-diphenylanthracen-2-yl)-9,10-diphenylanthracene |
INCHI | InChI=1S/C52H34/c1-5-17-35(18-6-1)49-41-25-13-15-27-43(41)51(37-21-9-3-10-22-37)47-33-39(29-31-45(47)49)40-30-32-46-48(34-40)52(38-23-11-4-12-24-38)44-28-16-14-26-42(44)50(46)36-19-7-2-8-20-36/h1-34H |
InChi Key | BHPFDLWDNJSMOS-UHFFFAOYSA-N |
Canonical SMILES | C1=CC=C(C=C1)C2=C3C=CC(=CC3=C(C4=CC=CC=C42)C5=CC=CC=C5)C6=CC7=C(C8=CC=CC=C8C(=C7C=C6)C9=CC=CC=C9)C1=CC=CC=C1 |
Isomeric SMILES | C1=CC=C(C=C1)C2=C3C=CC(=CC3=C(C4=CC=CC=C42)C5=CC=CC=C5)C6=CC7=C(C8=CC=CC=C8C(=C7C=C6)C9=CC=CC=C9)C1=CC=CC=C1 |
PubChem CID | 23154896 |
Molecular Weight | 658.84 |
Reaxy-Rn | 13174600 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 658.800 g/mol |
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XLogP3 | 15.100 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 0 |
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Rotatable Bond Count | 5 |
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Exact Mass | 658.266 Da |
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Monoisotopic Mass | 658.266 Da |
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Topological Polar Surface Area | 0.000 Ų |
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Heavy Atom Count | 52 |
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Formal Charge | 0 |
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Complexity | 1020.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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