Bis(tetrahydrofuran)(tetraphenylporphyrinato)nickel

Catalog Number	ACM161927760
CAS	161927-76-0
Synonyms	Nickel(3+);oxolane;5,10,15,20-tetraphenylporphyrin-22,24-diide
Molecular Weight	815.63
Molecular Formula	C52H44N4NiO2
Canonical SMILES	C1CCOC1.C1CCOC1.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Ni+3]
InChI	InChI=1S/C44H28N4.2C4H8O.Ni/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;2*1-2-4-5-3-1;/h1-28H;2*1-4H2;/q-2;+3
InChI Key	YVCYTGDUIAXMFK-UHFFFAOYSA-N
Purity	98%
Complexity	1410
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	814.281768
Heavy Atom Count	59
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Monoisotopic Mass	814.281768
Rotatable Bond Count	4
Topological Polar Surface Area	45.2 Ų