Benz(def)indeno(1,2,3-hi)chrysene
TL;DR: Benz(def)indeno(1,2,3-hi)chrysene (CAS 111189-33-4) is a chemical compound with molecular formula C26H14 and molecular weight 326.10956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
heptacyclo[15.6.2.12,9.03,8.014,24.021,25.013,26]hexacosa-1(24),2(26),3,5,7,9,11,13,15,17(25),18,20,22-tridecaene
Also Known As: Benz(def)indeno(1,2,3-hi)chrysene, benz[def]indeno[1,2,3hi]chrysene, Benzo[pqr]indeno[1,2,3-ij]tetraphene
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C26H14 |
| Molecular Weight | 326.10956 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 326.10956 Da |
| Heavy Atoms | 26 |
| Complexity | 564.0 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC4=C5C=CC6=C7C5=C(C2=C43)C=CC7=CC=C6 |
| InChIKey | UEKNZIHLUVKZBV-UHFFFAOYSA-N |
Chemical Property Profile of Benz(def)indeno(1,2,3-hi)chrysene
Property Insights of Benz(def)indeno(1,2,3-hi)chrysene
The XLogP value of 7.6 indicates that Benz(def)indeno(1,2,3-hi)chrysene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benz(def)indeno(1,2,3-hi)chrysene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(def)indeno(1,2,3-hi)chrysene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benz(def)indeno(1,2,3-hi)chrysene?
The CAS number of Benz(def)indeno(1,2,3-hi)chrysene is 111189-33-4.
What is the molecular formula of Benz(def)indeno(1,2,3-hi)chrysene?
The molecular formula of Benz(def)indeno(1,2,3-hi)chrysene is C26H14.
What is the molecular weight of Benz(def)indeno(1,2,3-hi)chrysene?
The molecular weight of Benz(def)indeno(1,2,3-hi)chrysene is 326.10956 g/mol.
Where can I buy Benz(def)indeno(1,2,3-hi)chrysene?
You can request a quote for Benz(def)indeno(1,2,3-hi)chrysene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benz(def)indeno(1,2,3-hi)chrysene?
Yes, CoreyChem provides custom synthesis services for Benz(def)indeno(1,2,3-hi)chrysene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.