106000-50-4
CIS-5,6,16,17-TETRAHYDRO-5,17,22,32-TETRAOXODIBENZO(C)AZEPINO(6,7-B,6,7-P)DIBENZO-18-CROWN-6
NameCIS-5,6,16,17-TETRAHYDRO-5,17,22,32-TETRAOXODIBENZO(C)AZEPINO(6,7-B,6,7-P)DIBENZO-18-CROWN-6
1Identification
【Name】
CIS-5,6,16,17-TETRAHYDRO-5,17,22,32-TETRAOXODIBENZO(C)AZEPINO(6,7-B,6,7-P)DIBENZO-18-CROWN-6
【CAS】
【MDL】
MFCD01730877
【English Synonyms】
【Formula】
C36 H30 N2 O10
【MolWeight】
650.637
【Inchi】
InChI=1S/C36H30N2O10/c39-33-21-5-1-3-7-23(21)35(41)37-27-19-31-29(17-25(27)33)45-13-9-43-10-14-46-30-18-26-28(20-32(30)48-16-12-44-11-15-47-31)38-36(42)24-8-4-2-6-22(24)34(26)40/h1-8,17-20H,9-16H2,(H,37,41)(H,38,42)
【InChIKey】
InChIKey=SLANIPXAHXNEKK-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c(=O)c3cc4c(cc3[nH]c2=O)OCCOCCOc5cc6c(cc5OCCOCCO4)c(=O)c7ccccc7c(=O)[nH]6
【MOL File】
CIS-5,6,16,17-TETRAH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:12
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CIS-5,6,16,17-TETRAHYDRO-5,17,22,32-TETRAOXODIBENZO(C)AZEPINO(6,7-B,6,7-P)DIBENZO-18-CROWN-6.cml