21H,23H-Porphine, 5,10,15,20-tetraphenyl-,manganese complex

Catalog Number	ACM12650838
CAS	12650-83-8
Synonyms	Manganese(3+);oxygen(2-);5,10,15,20-tetraphenylporphyrin-22,24-diide
Molecular Weight	1351.3
Molecular Formula	C88H56Mn2N8O
Canonical SMILES	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.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.[O-2].[Mn+3].[Mn+3]
InChI	InChI=1S/2C44H28N4.2Mn.O/c2*1-5-13-29(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;/h2*1-28H;/q2*-2;2*+3;-2
InChI Key	VFCYJZUPEHVVPC-UHFFFAOYSA-N
Purity	98%
Complexity	2740
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	1350.333795
Heavy Atom Count	99
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
Monoisotopic Mass	1350.333795
Rotatable Bond Count	8
Topological Polar Surface Area	54.4 Ų