TL;DR: 3-(5,7-diphenyl-3,4,4a,5-tetrahydro-1H-benzo[4,5]imidazo[2,1-j]quinolin-10(2H)-ylidene)pentane-2,4-dione (CAS 131527-36-1) is a chemical compound with molecular formula C32H30N2O2 and molecular weight 474.23074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(7,9-diphenyl-10,17-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,14,16-tetraen-13-ylidene)pentane-2,4-dione
Also Known As: 3-(5,7-diphenyl-3,4,4a,5-tetrahydro-1H-benzo[4,5]imidazo[2,1-j]quinolin-10(2H)-ylidene)pentane-2,4-dione
| Molecular Formula | C32H30N2O2 |
| Molecular Weight | 474.23074 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.23074 Da |
| Heavy Atoms | 36 |
| Complexity | 1080.0 |
| SMILES | CC(=O)C(=C1C=CC2=NC34CCCCC3C(C=C(N4C2=C1)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)C |
| InChIKey | POEVUWKCELIZDE-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that 3-(5,7-diphenyl-3,4,4a,5-tetrahydro-1H-benzo[4,5]imidazo[2,1-j]quinolin-10(2H)-ylidene)pentane-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 3-(5,7-diphenyl-3,4,4a,5-tetrahydro-1H-benzo[4,5]imidazo[2,1-j]quinolin-10(2H)-ylidene)pentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5,7-diphenyl-3,4,4a,5-tetrahydro-1H-benzo[4,5]imidazo[2,1-j]quinolin-10(2H)-ylidene)pentane-2,4-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(5,7-diphenyl-3,4,4a,5-tetrahydro-1H-benzo[4,5]imidazo[2,1-j]quinolin-10(2H)-ylidene)pentane-2,4-dione is 131527-36-1.
The molecular formula of 3-(5,7-diphenyl-3,4,4a,5-tetrahydro-1H-benzo[4,5]imidazo[2,1-j]quinolin-10(2H)-ylidene)pentane-2,4-dione is C32H30N2O2.
The molecular weight of 3-(5,7-diphenyl-3,4,4a,5-tetrahydro-1H-benzo[4,5]imidazo[2,1-j]quinolin-10(2H)-ylidene)pentane-2,4-dione is 474.23074 g/mol.
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