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2,6-Bis(diphenylamino)anthraquinone - 96%, high purity , CAS No.868850-50-4
Basic Description
Synonyms | B5092 | DTXSID90730627 | MFCD20040460 | FT-0735367 | 2,6-Bis-(diphenylamino)-9,10-anthracenedione | 9,10-Anthracenedione, 2,6-bis(diphenylamino)- | A922597 | SB66672 | AS-18641 | n,n,n',n'-tetraphenyl-2,6-diamino-9,10-anthracenedione | 2,6-Bis(diphenylami |
Specifications & Purity | ≥96% |
Storage Temp | Protected from light,Store at -20°C,Argon charged |
Shipped In | Ice chest + Ice pads |
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Names and Identifiers
Pubchem Sid | 488201954 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488201954 |
IUPAC Name | 2,6-bis(N-phenylanilino)anthracene-9,10-dione |
INCHI | InChI=1S/C38H26N2O2/c41-37-34-24-22-32(40(29-17-9-3-10-18-29)30-19-11-4-12-20-30)26-36(34)38(42)33-23-21-31(25-35(33)37)39(27-13-5-1-6-14-27)28-15-7-2-8-16-28/h1-26H |
InChi Key | TZENEWLXCXPNFX-UHFFFAOYSA-N |
Canonical SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C(=O)C5=C(C4=O)C=CC(=C5)N(C6=CC=CC=C6)C7=CC=CC=C7 |
Isomeric SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C(=O)C5=C(C4=O)C=CC(=C5)N(C6=CC=CC=C6)C7=CC=CC=C7 |
PubChem CID | 58927077 |
Molecular Weight | 542.64 |
Reaxy-Rn | 19130280 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity | Light Sensitive,Moisture Sensitive,Heat Sensitive |
Molecular Weight | 542.600 g/mol |
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XLogP3 | 9.300 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 4 |
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Rotatable Bond Count | 6 |
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Exact Mass | 542.199 Da |
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Monoisotopic Mass | 542.199 Da |
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Topological Polar Surface Area | 40.600 Ų |
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Heavy Atom Count | 42 |
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Formal Charge | 0 |
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Complexity | 800.000 |
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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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