1140231-89-5
PSEUDOGEM-BIS(DIPHENYLIMIDAZOLE)[2.2]PARACYCLOPHANE
NamePSEUDOGEM-BIS(DIPHENYLIMIDAZOLE)[2.2]PARACYCLOPHANE
1Identification
【Name】
PSEUDOGEM-BIS(DIPHENYLIMIDAZOLE)[2.2]PARACYCLOPHANE
【CAS】
【MDL】
MFCD17018936
【English Synonyms】
【Formula】
C46 H34 N4
【MolWeight】
642.803
【Inchi】
InChI=1S/C46H34N4/c1-5-13-35(14-6-1)41-42(36-15-7-2-8-16-36)49-46(48-41)40-30-32-22-21-31-23-25-33(27-28-34(40)26-24-32)39(29-31)45-47-43(37-17-9-3-10-18-37)44(50(45)46)38-19-11-4-12-20-38/h1-20,23-26,29-30H,21-22,27-28H2
【InChIKey】
InChIKey=UOTFIHYAGMJBMX-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2c(n3c(n2)-c4cc5ccc4CCc6ccc(cc6C37N=C(C(=N7)c8ccccc8)c9ccccc9)CC5)c1ccccc1
【MOL File】
PSEUDOGEM-BIS(DIPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:15.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PSEUDOGEM-BIS(DIPHENYLIMIDAZOLE)[2.2]PARACYCLOPHANE.cml