TL;DR: 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium (CAS 123071-49-8) is a chemical compound with molecular formula C29H31N2+ and molecular weight 407.24872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium
Also Known As: 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium, 1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-1H-benzo[e]indol-3-ium, 2-[3-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,1,3-trimethyl-1H-benz[e]indolium
| Molecular Formula | C29H31N2+ |
| Molecular Weight | 407.24872 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 407.24872 Da |
| Heavy Atoms | 31 |
| Complexity | 798.0 |
| SMILES | CC1(C2=CC=CC=C2N(C1=CC=CC3=[N+](C4=C(C3(C)C)C5=CC=CC=C5C=C4)C)C)C |
| InChIKey | CAQVGTGTLHVPML-UHFFFAOYSA-N |
The XLogP value of 6.9 indicates that 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.3 Ų, 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium is 123071-49-8.
The molecular formula of 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium is C29H31N2+.
The molecular weight of 1,1,3-trimethyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium is 407.24872 g/mol.
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