Synonyms
Dimethyl 7,12-diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropionate
IUPAC Name
methyl 3-[8,13-diethyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
Molecular Weight
594.74
Molecular Formula
C36H42N4O4
InChI
CQKDGYMHYLBWTQ-UHFFFAOYSA-N
InChI Key
InChI=1S/C36H42N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h15-18,37-38H,9-14H2,1-8H3
Melting Point
214-215 °C-lit
Purity
98%
Appearance
Solid
Storage
-20°C
Complexity
980
Covalently-Bonded Unit Count
1
EC Number
215-030-1
Exact Mass
594.321g/mol
H-Bond Acceptor
6
H-Bond Donor
2
Heavy Atom Count
44
Isomeric SMILES
CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C)CC)C
Monoisotopic Mass
594.321g/mol
NSC Number
16668
Rotatable Bond Count
10
Topological Polar Surface Area
110A^2
