155593-00-3
PYRROLO(3,4-B)PYRROLE-2,6(1H,3H)-DIONE, 4,5-DIHYDRO-3-((4-BROMOPHENYL) METHYLENE)-1,4,5-TRIPHENYL-
NamePYRROLO(3,4-B)PYRROLE-2,6(1H,3H)-DIONE, 4,5-DIHYDRO-3-((4-BROMOPHENYL) METHYLENE)-1,4,5-TRIPHENYL-
1Identification
【Name】
PYRROLO(3,4-B)PYRROLE-2,6(1H,3H)-DIONE, 4,5-DIHYDRO-3-((4-BROMOPHENYL) METHYLENE)-1,4,5-TRIPHENYL-
【CAS】
【MDL】
MFCD01759542
【English Synonyms】
【Formula】
C31 H21 Br N2 O2
【MolWeight】
533.423
【Inchi】
InChI=1S/C31H21BrN2O2/c32-23-18-16-21(17-19-23)20-26-27-28(22-10-4-1-5-11-22)33(24-12-6-2-7-13-24)31(36)29(27)34(30(26)35)25-14-8-3-9-15-25/h1-20,28H/b26-20+
【InChIKey】
InChIKey=NHYSBRYQSVIFPH-LHLOQNFPSA-N
【SMILES】
c1ccc(cc1)C2C\3=C(C(=O)N2c4ccccc4)N(C(=O)/C3=C/c5ccc(cc5)Br)c6ccccc6
【MOL File】
PYRROLO(3,4-B)PYRROL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PYRROLO(3,4-B)PYRROLE-2,6(1H,3H)-DIONE, 4,5-DIHYDRO-3-((4-BROMOPHENYL) METHYLENE)-1,4,5-TRIPHENYL-.cml