| CAS Number | 1115639-86-5 |
| Catalog Number | AG003AT6(AGN-PC-0CYEEW) |
| Chemical Name | 6-(triphenylen-2-yl)-8-thiatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene |
| IUPAC Name | 4-triphenylen-2-yldibenzothiophene |
| InChI | InChI=1S/C30H18S/c1-2-10-23-21(8-1)22-9-3-4-11-24(22)28-18-19(16-17-25(23)28)20-13-7-14-27-26-12-5-6-15-29(26)31-30(20)27/h1-18H |
| InChI Key | MYJVMIDCDITECL-UHFFFAOYSA-N |
| MDL Number | MFCD32184652 |
| Molecular Formula | C30H18S |
| Molecular Weight | 410.5289 |
| SMILES | C1=C(C=CC=2C3=CC=CC=C3C3=CC=CC=C3C12)C1=CC=CC2=C1SC1=C2C=CC=C1 |
| Synonyms | SCHEMBL2810613,
MYJVMIDCDITECL-UHFFFAOYSA-N,
4-(2-triphenylenyl)-dibenzothiophene,
4-(triphenylen-2-yl)dibenzothiophene,
4-(Triphenylene-2-yl)dibenzothiophene,
1115639-86-5,
|
| Complexity | 642 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 410.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 410.534g/mol |
| Monoisotopic Mass | 410.113g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number