TL;DR: 4,4'-(p-Phenylenediethene-2,1-diyl)bisbenzonitrile (CAS 130918-90-0) is a chemical compound with molecular formula C24H16N2 and molecular weight 332.13135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
Also Known As: 1,4-Bis(4-Cyanostyryl)Benzene, Blankophor ER, 4,4'-(1,4-Phenylenebis(ethene-2,1-diyl))dibenzonitrile, Optical Brightener 199, 1,4-Di[4-cyanostyryl]benzene
| Molecular Formula | C24H16N2 |
| Molecular Weight | 332.13135 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.13135 Da |
| Heavy Atoms | 26 |
| Complexity | 520.0 |
| SMILES | C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C#N)/C=C/C3=CC=C(C=C3)C#N |
| InChIKey | KIAAMJMIIHTGBH-KQQUZDAGSA-N |
The XLogP value of 5.9 indicates that 4,4'-(p-Phenylenediethene-2,1-diyl)bisbenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 4,4'-(p-Phenylenediethene-2,1-diyl)bisbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-(p-Phenylenediethene-2,1-diyl)bisbenzonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4,4'-(p-Phenylenediethene-2,1-diyl)bisbenzonitrile is 130918-90-0.
The molecular formula of 4,4'-(p-Phenylenediethene-2,1-diyl)bisbenzonitrile is C24H16N2.
The molecular weight of 4,4'-(p-Phenylenediethene-2,1-diyl)bisbenzonitrile is 332.13135 g/mol.
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