Synonyms
meso-Tetra(2,4,6-trimethylphenyl)porphyrin
IUPAC Name
5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
Molecular Weight
783.05
Molecular Formula
C56H54N4
Canonical SMILES
CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C=C4)C9=C(C=C(C=C9C)C)C)N3)C
InChI
KBIOUJDBIXSYJT-UHFFFAOYSA-N
InChI Key
InChI=1S/C56H54N4/c1-29-21-33(5)49(34(6)22-29)53-41-13-15-43(57-41)54(50-35(7)23-30(2)24-36(50)8)45-17-19-47(59-45)56(52-39(11)27-32(4)28-40(52)12)48-20-18-46(60-48)55(44-16-14-42(53)58-44)51-37(9)25-31(3)26-38(51)10/h13-28,57,60H,1-12H3
Purity
98%
Complexity
1160
Covalently-Bonded Unit Count
1
Exact Mass
782.43484774
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
60
Monoisotopic Mass
782.43484774
Rotatable Bond Count
4
Topological Polar Surface Area
57.4 Ų
