5,10,15,20-Tetrakis(4-methoxyphenyl)-21h,23h-porphine

Catalog Number	ACM22112783-5
CAS	22112-78-3
Structure
Synonyms	5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin; Tetra(p-methoxyphenyl)porphyrin
IUPAC Name	5,10,15,20-tetrakis(4-methoxyphenyl)-21,23-dihydroporphyrin
Molecular Weight	734.84
Molecular Formula	C48H38N4O4
Canonical SMILES	COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C=C4)C9=CC=C(C=C9)OC)N3
InChI	PJOJZHHAECOAFH-UHFFFAOYSA-N
InChI Key	InChI=1S/C48H38N4O4/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31/h5-28,49,52H,1-4H3
Melting Point	>27 °C
Purity	98%
Complexity	1030
Covalently-Bonded Unit Count	1
Exact Mass	734.28930571
Formal Charge	0
Heavy Atom Count	56
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Monoisotopic Mass	734.28930571
Rotatable Bond Count	8
Topological Polar Surface Area	94.3 Ų