| CAS Number | 803727-09-5 |
| Catalog Number | AG00IMKP(AGN-PC-0UGZ88) |
| Chemical Name | Benzenamine,4-(5-phenyl-2-thienyl)-N,N-bis[4-(5-phenyl-2-thienyl)phenyl]- |
| IUPAC Name | 4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline |
| InChI | InChI=1S/C48H33NS3/c1-4-10-34(11-5-1)43-28-31-46(50-43)37-16-22-40(23-17-37)49(41-24-18-38(19-25-41)47-32-29-44(51-47)35-12-6-2-7-13-35)42-26-20-39(21-27-42)48-33-30-45(52-48)36-14-8-3-9-15-36/h1-33H |
| InChI Key | UJZRJDHTDMTGAP-UHFFFAOYSA-N |
| MDL Number | MFCD28291947 |
| Molecular Formula | C48H33NS3 |
| Molecular Weight | 719.9773 |
| SMILES | N(C1=CC=C(C2=CC=C(C3=CC=CC=C3)S2)C=C1)(C4=CC=C(C5=CC=C(C6=CC=CC=C6)S5)C=C4)C7=CC=C(C8=CC=C(C9=CC=CC=C9)S8)C=C7 |
| Synonyms | Tris(4-(5-phenylthiophen-2-yl)phenyl)amine,
803727-09-5,
Tris[4-(5-phenylthiophen-2-yl)phenyl]amine,
SCHEMBL2339929,
MFCD28291947,
AKOS030627628,
ZINC164616431,
Tri(4-(5-phenyl-2-thienyl)phenyl)amine,
tris[4-(5-phenyl thiophen-2-yl)phenyl]amine,
4-(5-phenyl-2-thienyl)-N,N-bis[4-(5-phenyl-2-thienyl) phenyl]- benzenamine,
T3328,
|
| Complexity | 922 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 719.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 52 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 719.979g/mol |
| Monoisotopic Mass | 719.178g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 88A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 14.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number