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1,3,5-Tris[4-(diphenylamino)phenyl]benzene - 95%, high purity , CAS No.147951-36-8
Basic Description
Specifications & Purity | ≥95% |
Storage Temp | Store at 2-8°C |
Shipped In | Wet ice |
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Names and Identifiers
Pubchem Sid | 504768071 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768071 |
IUPAC Name | 4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline |
INCHI | InChI=1S/C60H45N3/c1-7-19-52(20-8-1)61(53-21-9-2-10-22-53)58-37-31-46(32-38-58)49-43-50(47-33-39-59(40-34-47)62(54-23-11-3-12-24-54)55-25-13-4-14-26-55)45-51(44-49)48-35-41-60(42-36-48)63(56-27-15-5-16-28-56)57-29-17-6-18-30-57/h1-45H |
InChi Key | XVMUGTFNHXHZIP-UHFFFAOYSA-N |
Canonical SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC(=CC(=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)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)C4=CC(=CC(=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1 |
PubChem CID | 16180236 |
Molecular Weight | 808.04 |
Reaxy-Rn | 8746598 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 808.000 g/mol |
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XLogP3 | 16.500 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 3 |
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Rotatable Bond Count | 12 |
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Exact Mass | 807.361 Da |
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Monoisotopic Mass | 807.361 Da |
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Topological Polar Surface Area | 9.700 Ų |
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Heavy Atom Count | 63 |
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Formal Charge | 0 |
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Complexity | 1050.000 |
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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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