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SKU | Size | Availability | Price | Qty |
---|---|---|---|---|
N159563-200mg | 200mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $89.90 | |
N159563-1g | 1g | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $266.90 |
Specifications & Purity | ≥98%(HPLC) |
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Shipped In | Normal |
IUPAC Name | 1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine |
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INCHI | InChI=1S/C60H46N4/c1-7-19-49(20-8-1)61(50-21-9-2-10-22-50)57-39-43-59(44-40-57)63(53-27-15-5-16-28-53)55-35-31-47(32-36-55)48-33-37-56(38-34-48)64(54-29-17-6-18-30-54)60-45-41-58(42-46-60)62(51-23-11-3-12-24-51)52-25-13-4-14-26-52/h1-46H |
InChi Key | XOYZGLGJSAZOAG-UHFFFAOYSA-N |
Canonical SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1 |
Isomeric SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1 |
PubChem CID | 21918000 |
Molecular Weight | 823.06 |
Reaxy-Rn | 14390814 |
Melt Point(°C) | 250 °C |
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Molecular Weight | 823.000 g/mol |
XLogP3 | 16.500 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 13 |
Exact Mass | 822.372 Da |
Monoisotopic Mass | 822.372 Da |
Topological Polar Surface Area | 13.000 Ų |
Heavy Atom Count | 64 |
Formal Charge | 0 |
Complexity | 1150.000 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
The total count of all stereochemical bonds | 0 |
Covalently-Bonded Unit Count | 1 |
Reaxy-Rn | 14390814 |
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