51094-17-8
5,10,15,20-TETRAKIS(4-HYDROXYPHENYL)-21H,23H-PORPHINE
Name5,10,15,20-TETRAKIS(4-HYDROXYPHENYL)-21H,23H-PORPHINE
1Identification
【Name】
5,10,15,20-TETRAKIS(4-HYDROXYPHENYL)-21H,23H-PORPHINE
【CAS】
【MDL】
MFCD00191501
【English Synonyms】
【Formula】
C44 H30 N4 O4
【MolWeight】
678.745
【Inchi】
InChI=1S/C44H30N4O4/c49-29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(50)12-4-26)37-21-23-39(47-37)44(28-7-15-32(52)16-8-28)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(51)14-6-27/h1-24,45,48-52H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
【InChIKey】
InChIKey=VFHDWGAEEDVVPD-LWQDQPMZSA-N
【SMILES】
c1cc(ccc1/c2/c3ccc([nH]3)/c(c/4\nc(/c(c\5/cc/c(/[nH]5)c(/c6n\c2\C=C6)\c7ccc(cc7)O)/c8ccc(cc8)O)C=C4)/c9ccc(cc9)O)O
【MOL File】
5,10,15,20-TETRAKIS(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5,10,15,20-TETRAKIS(4-HYDROXYPHENYL)-21H,23H-PORPHINE.cml