Synonyms
SCHEMBL8355904;CHEMBL3885365;67605-65-6;5-(4-nitro phenyl),10,15,20 triphenylporphyrin;5-(4-nitrophenyl)-10,15,20-triphenylporphyrin;5-(4-nitrophenyl)-10-15-20-(triphenyl)porphyrin;5,10,20-Triphenyl-15-(4-nitrophenyl)-21H,23H-porphyrin;5-(4-Nitrophenyl)-10,15,20-triphenyl-21H,23H-porphyrin;
IUPAC Name
5-(4-nitrophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin;
Molecular Weight
659.749g/mol
Molecular Formula
C44H29N5O2;
Canonical SMILES
C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=C(C=C8)[N+](=O)[O-])C=C4)C9=CC=CC=C9)N3;
InChI
InChI=1S/C44H29N5O2/c50-49(51)32-18-16-31(17-19-32)44-39-26-24-37(47-39)42(29-12-6-2-7-13-29)35-22-20-33(45-35)41(28-10-4-1-5-11-28)34-21-23-36(46-34)43(30-14-8-3-9-15-30)38-25-27-40(44)48-38/h1-27,45,48H;
InChI Key
ZOYKPLGODAQGNN-UHFFFAOYSA-N;
Complexity
1140
Covalently-Bonded Unit Count
1
Exact Mass
659.232g/mol
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
51
Monoisotopic Mass
659.232g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
103A^2
