Catalog Number:
AG000PKK
Chemical Name:
Benzoic acid, 4-(10,15,20-triphenyl-21H,23H-porphin-5-yl)-, methyl ester
CAS Number:
119730-06-2
Molecular Formula:
C46H32N4O2
Molecular Weight:
672.7719
MDL Number:
MFCD02093480
IUPAC Name:
methyl 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate
InChI:
InChI=1S/C46H32N4O2/c1-52-46(51)33-19-17-32(18-20-33)45-40-27-25-38(49-40)43(30-13-7-3-8-14-30)36-23-21-34(47-36)42(29-11-5-2-6-12-29)35-22-24-37(48-35)44(31-15-9-4-10-16-31)39-26-28-41(45)50-39/h2-28,47,50H,1H3
InChI Key:
AUUXSDUVWMAVMR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccccc1)C=C3)c1ccccc1)[nH]2)c1ccccc1
