TL;DR: Thiophene, 2,5-bis(4-nitrophenyl)-3,4-diphenyl- (CAS 101945-48-6) is a chemical compound with molecular formula C28H18N2O4S and molecular weight 478.09872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-bis(4-nitrophenyl)-3,4-diphenylthiophene
Also Known As: Thiophene, 2,5-bis(4-nitrophenyl)-3,4-diphenyl-, 2,5-bis(4-nitrophenyl)-3,4-diphenylthiophene, BAS 00090540, 2,5-bis (4-nitrophenyl)-3,4-diphenylthiophene, 2,5-Bis-(4-nitro-phenyl)-3,4-diphenyl-thiophene
| Molecular Formula | C28H18N2O4S |
| Molecular Weight | 478.09872 g/mol |
| XLogP | 7.8 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.09872 Da |
| Heavy Atoms | 35 |
| Complexity | 651.0 |
| SMILES | C1=CC=C(C=C1)C2=C(SC(=C2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-] |
| InChIKey | ZKHMOKXRSFHHFD-UHFFFAOYSA-N |
The XLogP value of 7.8 indicates that Thiophene, 2,5-bis(4-nitrophenyl)-3,4-diphenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiophene, 2,5-bis(4-nitrophenyl)-3,4-diphenyl-. Following Lipinski's Rule of Five, Thiophene, 2,5-bis(4-nitrophenyl)-3,4-diphenyl- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Thiophene, 2,5-bis(4-nitrophenyl)-3,4-diphenyl- is 101945-48-6.
The molecular formula of Thiophene, 2,5-bis(4-nitrophenyl)-3,4-diphenyl- is C28H18N2O4S.
The molecular weight of Thiophene, 2,5-bis(4-nitrophenyl)-3,4-diphenyl- is 478.09872 g/mol.
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