Nickel(II) tetramethoxyphenylporphyrin

Catalog Number	ACM39828574
CAS	39828-57-4
Synonyms	Meso-tetrakis(4-methoxyphenyl)porphyrin nickel(II)
Molecular Weight	791.52
Molecular Formula	C48H36N4NiO4
Canonical SMILES	COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C=C4)C9=CC=C(C=C9)OC)[N-]3.[Ni+2]
InChI	InChI=1S/C48H36N4O4.Ni/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;/h5-28H,1-4H3;/q-2;+2
InChI Key	WIHHBQHMISDZOC-UHFFFAOYSA-N
Purity	98%
Complexity	1440
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	790.208997
Heavy Atom Count	57
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Monoisotopic Mass	790.208997
Rotatable Bond Count	8
Topological Polar Surface Area	63.6 Ų