59541-92-3
1,4-DIHYDRO-4-OXO-N,1,2,6-TETRAPHENYLNICOTINAMIDE
Name1,4-DIHYDRO-4-OXO-N,1,2,6-TETRAPHENYLNICOTINAMIDE
1Identification
【Name】
1,4-DIHYDRO-4-OXO-N,1,2,6-TETRAPHENYLNICOTINAMIDE
【CAS】
【MDL】
MFCD01711851
【English Synonyms】
【Formula】
C30 H22 N2 O2
【MolWeight】
442.516
【Inchi】
InChI=1S/C30H22N2O2/c33-27-21-26(22-13-5-1-6-14-22)32(25-19-11-4-12-20-25)29(23-15-7-2-8-16-23)28(27)30(34)31-24-17-9-3-10-18-24/h1-21H,(H,31,34)
【InChIKey】
InChIKey=FEYBKXCWYSNHPC-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2cc(=O)c(c(n2c3ccccc3)c4ccccc4)C(=O)Nc5ccccc5
【MOL File】
1,4-DIHYDRO-4-OXO-N,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-DIHYDRO-4-OXO-N,1,2,6-TETRAPHENYLNICOTINAMIDE.cml