| CAS Number | 372956-40-6 |
| Catalog Number | AG00IMKX(AGN-PC-0RDMVW) |
| Chemical Name | 1,1':4',1'':3'',1''':4''',1''''-Quinquephenyl,4,4''''-difluoro-5''-(4'-fluoro[1,1'-biphenyl]-4-yl)- |
| IUPAC Name | 1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene |
| InChI | InChI=1S/C42H27F3/c43-40-19-13-31(14-20-40)28-1-7-34(8-2-28)37-25-38(35-9-3-29(4-10-35)32-15-21-41(44)22-16-32)27-39(26-37)36-11-5-30(6-12-36)33-17-23-42(45)24-18-33/h1-27H |
| InChI Key | KMIGKTQTBLIAJV-UHFFFAOYSA-N |
| MDL Number | MFCD30721947 |
| Molecular Formula | C42H27F3 |
| Molecular Weight | 588.659 |
| SMILES | FC1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC(=CC(=C1)C1=CC=C(C=C1)C1=CC=C(F)C=C1)C1=CC=C(C=C1)C1=CC=C(F)C=C1 |
| Synonyms | 1,3,5-Tris(4'-fluorobiphenyl-4-yl)benzene,
372956-40-6,
SCHEMBL2944704,
MFCD30721947,
1,3,5-Tris(4'-fluoro-4-biphenylyl)benzene,
4,4''''-Difluoro-5''-(4'-fluoro-[1,1'-biphenyl]-4-yl)-1,1':4',1'':3'',1''':4''',1''''-quinquephenyl,
CID11467407,
T3462,
1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene,
|
| Complexity | 730 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 588.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 45 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 588.673g/mol |
| Monoisotopic Mass | 588.206g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 12 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number