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N,N'-Di(2-naphthyl)-N,N'-diphenyl-1,4-phenylenediamine - >98.0%(HPLC), high purity , CAS No.139994-47-1
Basic Description
Specifications & Purity | ≥98%(HPLC) |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 504768785 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768785 |
IUPAC Name | 1-N,4-N-dinaphthalen-2-yl-1-N,4-N-diphenylbenzene-1,4-diamine |
INCHI | InChI=1S/C38H28N2/c1-3-15-33(16-4-1)39(37-21-19-29-11-7-9-13-31(29)27-37)35-23-25-36(26-24-35)40(34-17-5-2-6-18-34)38-22-20-30-12-8-10-14-32(30)28-38/h1-28H |
InChi Key | QVDYERLGSGAPKP-UHFFFAOYSA-N |
Canonical SMILES | C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4)C6=CC7=CC=CC=C7C=C6 |
Isomeric SMILES | C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4)C6=CC7=CC=CC=C7C=C6 |
PubChem CID | 18938637 |
Molecular Weight | 512.66 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C) | 194 °C |
Molecular Weight | 512.600 g/mol |
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XLogP3 | 10.900 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 2 |
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Rotatable Bond Count | 6 |
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Exact Mass | 512.225 Da |
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Monoisotopic Mass | 512.225 Da |
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Topological Polar Surface Area | 6.500 Ų |
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Heavy Atom Count | 40 |
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Formal Charge | 0 |
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Complexity | 695.000 |
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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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