56431-38-0
6-OXO-1,2,3,5-TETRAPHENYL-3,6-DIHYDROPYRIMIDIN-1-IUM-4-OLATE
Name6-OXO-1,2,3,5-TETRAPHENYL-3,6-DIHYDROPYRIMIDIN-1-IUM-4-OLATE
1Identification
【Name】
6-OXO-1,2,3,5-TETRAPHENYL-3,6-DIHYDROPYRIMIDIN-1-IUM-4-OLATE
【CAS】
【MDL】
MFCD03230381
【English Synonyms】
【Formula】
C28 H20 N2 O2
【MolWeight】
416.478
【Inchi】
InChI=1S/C28H20N2O2/c31-27-25(21-13-5-1-6-14-21)28(32)30(24-19-11-4-12-20-24)26(22-15-7-2-8-16-22)29(27)23-17-9-3-10-18-23/h1-20H
【InChIKey】
InChIKey=ZCBCFVIKPJMAHR-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2c(n(c([n+](c2=O)c3ccccc3)c4ccccc4)c5ccccc5)[O-]
【MOL File】
6-OXO-1,2,3,5-TETRAP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-OXO-1,2,3,5-TETRAPHENYL-3,6-DIHYDROPYRIMIDIN-1-IUM-4-OLATE.cml