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4,4'-(2,3-Dihydrothieno[3,4-b][1,4]dioxine-5,7-diyl)bis[N,N-bis(4-methoxyphenyl)aniline] - 95%, high purity , CAS No.1622008-73-4
Basic Description
Specifications & Purity | ≥95% |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 488202602 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202602 |
IUPAC Name | 4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-N,N-bis(4-methoxyphenyl)aniline |
INCHI | InChI=1S/C46H40N2O6S/c1-49-39-21-13-35(14-22-39)47(36-15-23-40(50-2)24-16-36)33-9-5-31(6-10-33)45-43-44(54-30-29-53-43)46(55-45)32-7-11-34(12-8-32)48(37-17-25-41(51-3)26-18-37)38-19-27-42(52-4)28-20-38/h5-28H,29-30H2,1-4H3 |
InChi Key | JOJPNOVYPGLCMM-UHFFFAOYSA-N |
Canonical SMILES | COC1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=C4C(=C(S3)C5=CC=C(C=C5)N(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)OCCO4)C8=CC=C(C=C8)OC |
Isomeric SMILES | COC1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=C4C(=C(S3)C5=CC=C(C=C5)N(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)OCCO4)C8=CC=C(C=C8)OC |
PubChem CID | 102130343 |
Molecular Weight | 748.89 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 748.900 g/mol |
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XLogP3 | 11.000 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 9 |
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Rotatable Bond Count | 12 |
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Exact Mass | 748.261 Da |
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Monoisotopic Mass | 748.261 Da |
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Topological Polar Surface Area | 90.100 Ų |
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Heavy Atom Count | 55 |
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Formal Charge | 0 |
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Complexity | 985.000 |
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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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