| CAS Number | 398128-81-9 |
| Catalog Number | AG00CMZM(AGN-PC-00PKET) |
| Chemical Name | TES pentacene |
| IUPAC Name | triethyl-[2-[13-(2-triethylsilylethynyl)pentacen-6-yl]ethynyl]silane |
| InChI | InChI=1S/C38H42Si2/c1-7-39(8-2,9-3)23-21-33-35-25-29-17-13-15-19-31(29)27-37(35)34(22-24-40(10-4,11-5)12-6)38-28-32-20-16-14-18-30(32)26-36(33)38/h13-20,25-28H,7-12H2,1-6H3 |
| InChI Key | WSBQAUOFFOKRMX-UHFFFAOYSA-N |
| MDL Number | MFCD29477809 |
| Molecular Formula | C32H30Si2 |
| Molecular Weight | 470.7516 |
| SMILES | C1=CC=C2C(=C1)C=C1C(=C3C(C=C4C=CC=CC4=C3)=C(C1=C2)C#C[Si](C)(C)C)C#C[Si](C)(C)C |
| Synonyms | 6,13-Bis((triethylsilyl)ethynyl)pentacene,
398128-81-9,
6,13-bis(triethylsilylethynyl)pentacene,
ZINC170164737,
6,13-Bis((triethylsilyl)ethynyl)pentacene, >=99% (HPLC),
TES pentacene,
|
| Complexity | 839 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 554.283g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 554.924g/mol |
| Monoisotopic Mass | 554.283g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number