| CAS Number | 177991-01-4 |
| Catalog Number | AG0025OZ(AGN-PC-0NHYUF) |
| Chemical Name | Benzene, 1,1',1'',1'''-methanetetrayltetrakis[4-ethynyl- |
| IUPAC Name | 1-ethynyl-4-[tris(4-ethynylphenyl)methyl]benzene |
| InChI | InChI=1S/C33H20/c1-5-25-9-17-29(18-10-25)33(30-19-11-26(6-2)12-20-30,31-21-13-27(7-3)14-22-31)32-23-15-28(8-4)16-24-32/h1-4,9-24H |
| InChI Key | JGUCYLISNORQFW-UHFFFAOYSA-N |
| MDL Number | MFCD24873189 |
| Molecular Formula | C33H20 |
| Molecular Weight | 416.5119 |
| SMILES | C#CC1=CC=C(C(C2=CC=C(C#C)C=C2)(C3=CC=C(C#C)C=C3)C4=CC=C(C#C)C=C4)C=C1 |
| Synonyms | tetrakis(4-ethynylphenyl)methane,
177991-01-4,
MFCD24873189,
AKOS025149161,
ZINC113858238,
T3151,
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| Complexity | 685 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 416.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 416.523g/mol |
| Monoisotopic Mass | 416.157g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8 |
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Certificate of Analysis
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