50849-45-1
MESO-TETRA(3-METHYLPHENYL) PORPHINE
NameMESO-TETRA(3-METHYLPHENYL) PORPHINE
1Identification
【Name】
MESO-TETRA(3-METHYLPHENYL) PORPHINE
【CAS】
【MDL】
MFCD02114464
【English Synonyms】
【Formula】
C48 H38 N4
【MolWeight】
670.856
【Inchi】
InChI=1S/C48H38N4/c1-29-9-5-13-33(25-29)45-37-17-19-39(49-37)46(34-14-6-10-30(2)26-34)41-21-23-43(51-41)48(36-16-8-12-32(4)28-36)44-24-22-42(52-44)47(40-20-18-38(45)50-40)35-15-7-11-31(3)27-35/h5-28,49,52H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
【InChIKey】
InChIKey=VTJYAROBIDZWEY-PJEPRTEXSA-N
【SMILES】
Cc1cccc(c1)/c2/c3ccc([nH]3)/c(c/4\nc(/c(c\5/cc/c(/[nH]5)c(/c6n\c2\C=C6)\c7cccc(c7)C)/c8cccc(c8)C)C=C4)/c9cccc(c9)C
【MOL File】
MESO-TETRA(3-METHYLP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
MESO-TETRA(3-METHYLPHENYL) PORPHINE.cml