104978-82-7
7,16-DIHYDROBENZO[A]BENZO[5,6]QUINO[3,2-I]ACRIDINE-9,18-DIONE
Name7,16-DIHYDROBENZO[A]BENZO[5,6]QUINO[3,2-I]ACRIDINE-9,18-DIONE
1Identification
【Name】
7,16-DIHYDROBENZO[A]BENZO[5,6]QUINO[3,2-I]ACRIDINE-9,18-DIONE
【CAS】
【MDL】
MFCD03093279
【English Synonyms】
【Formula】
C28 H16 N2 O2
【MolWeight】
412.446
【Inchi】
InChI=1S/C28H16N2O2/c31-27-19-13-24-20(28(32)26-18-8-4-2-6-16(18)10-12-22(26)30-24)14-23(19)29-21-11-9-15-5-1-3-7-17(15)25(21)27/h1-14H,(H,29,31)(H,30,32)
【InChIKey】
InChIKey=ABACAMWRODPEMU-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)ccc3c2c(=O)c4cc5c(cc4[nH]3)c(=O)c6c7ccccc7ccc6[nH]5
【MOL File】
7,16-DIHYDROBENZO[A]….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7,16-DIHYDROBENZO[A]BENZO[5,6]QUINO[3,2-I]ACRIDINE-9,18-DIONE.cml