What is the molecular formula of 3,8-Dichloro-5,10-bis[(3-chlorophenyl)amino]pyrene-1,6-dione?
The molecular formula is C28H14Cl4N2O2.
What is the molecular weight of the compound?
The molecular weight is 552.2 g/mol.
When was the compound first created?
The compound was first created on August 8, 2005.
What is the IUPAC name of the compound?
The IUPAC name is 3,8-dichloro-10-(3-chloroanilino)-5-(3-chlorophenyl)imino-6-hydroxypyren-1-one.
What is the InChI of the compound?
The InChI is InChI=1S/C28H14Cl4N2O2/c29-13-3-1-5-15(7-13)33-21-9-17-19(31)12-24(36)28-22(34-16-6-2-4-14(30)8-16)10-18-20(32)11-23(35)27(21)25(18)26(17)28/h1-12,33,36H.
What is the InChIKey of the compound?
The InChIKey is PVXYSEDCHQONLQ-UHFFFAOYSA-N.
What is the canonical SMILES representation of the compound?
The canonical SMILES representation is C1=CC(=CC(=C1)Cl)NC2=C3C(=O)C=C(C4=CC(=NC5=CC(=CC=C5)Cl)C6=C(C=C(C(=C2)C6=C43)Cl)O)Cl.
What is the CAS number of the compound?
The CAS number is 97404-17-6.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many topological polar surface areas does the compound have?
The compound has a topological polar surface area of 61.7 Ų.
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