Synonyms
meso-Tetra(4-carboxyphenyl)porphine; Tetrakis(4-carboxyphenyl)porphyrin
IUPAC Name
4-[10,15,20-tris(4-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
Molecular Weight
790.77
Molecular Formula
C48H30N4O8
Canonical SMILES
C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)O)C8=CC=C(C=C8)C(=O)O)C=C4)C9=CC=C(C=C9)C(=O)O)N3)C(=O)O
InChI
HHDUMDVQUCBCEY-UHFFFAOYSA-N
InChI Key
InChI=1S/C48H30N4O8/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)
Melting Point
>300 °C
Purity
97%
Appearance
Purple powder
Complexity
1310
Covalently-Bonded Unit Count
1
Exact Mass
790.20636393
H-Bond Acceptor
10
H-Bond Donor
6
Heavy Atom Count
60
Monoisotopic Mass
790.20636393
Rotatable Bond Count
8
Topological Polar Surface Area
207 Ų
UNII
E9892W6IMC
