Dichloro[5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21H,23H-porphinato]ruthenium(IV)

Catalog Number	ACM145698904-1
CAS	145698-90-4
Synonyms	Dichlororuthenium(2+);5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-1,4,5,10,11,14,15,20,21,23-decahydroporphyrin-22,24-diide
Molecular Weight	963.1
Molecular Formula	C56H62Cl2N4Ru
Canonical SMILES	CC1=CC(=C(C(=C1)C)C2C3C=CC(N3)C(C4=CC=C([N-]4)C(C5C=CC(N5)C(C6=CC=C2[N-]6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)C.Cl[Ru+2]Cl
InChI	InChI=1S/C56H62N4.2ClH.Ru/c1-29-21-33(5)49(34(6)22-29)53-41-13-15-43(57-41)54(50-35(7)23-30(2)24-36(50)8)45-17-19-47(59-45)56(52-39(11)27-32(4)28-40(52)12)48-20-18-46(60-48)55(44-16-14-42(53)58-44)51-37(9)25-31(3)26-38(51)10;/h13-28,41,43,46,48,53-57,60H,1-12H3;2*1H;/q-2;+4/p-2
InChI Key	SSZAMBPSGOTAST-UHFFFAOYSA-L
Purity	98%
Appearance	Crystal
Exact Mass	962.339494
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Monoisotopic Mass	962.339494
Rotatable Bond Count	4
Topological Polar Surface Area	26.1 Ų