2683-82-1
2,3,7,8,12,13,17,18-OCTAETHYL-21H,23H-PORPHINE
Name2,3,7,8,12,13,17,18-OCTAETHYL-21H,23H-PORPHINE
1Identification
【Name】
2,3,7,8,12,13,17,18-OCTAETHYL-21H,23H-PORPHINE
【CAS】
【MDL】
MFCD00009627
【English Synonyms】
【Formula】
C36 H46 N4
【MolWeight】
534.787
【Inchi】
InChI=1S/C36H46N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20,37,40H,9-16H2,1-8H3/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-
【InChIKey】
InChIKey=HCIIFBHDBOCSAF-MUZKIALCSA-N
【SMILES】
CCc1c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c/c5n/c(c\c(c1CC)[nH]2)/C(=C5CC)CC)CC)CC)C(=C3CC)CC
【MOL File】
2,3,7,8,12,13,17,18-….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)
【WGK Germany】
3
4CML File
2,3,7,8,12,13,17,18-OCTAETHYL-21H,23H-PORPHINE.cml