Dicyano-cobalt(III)-tetrakis(4-(trimethylammonio)phenyl)porphyrin

Catalog Number	ACM129232366
CAS	129232-36-6
Synonyms	Trimethylbenzenaminiumato))(2-)-N21,N22,N23,N24)cobalt(3+)
Molecular Weight	956.1
Molecular Formula	C58H60CoN10
Canonical SMILES	C[N+](C)(C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)[N+](C)(C)C)C8=CC=C(C=C8)[N+](C)(C)C)C9=CC=C(C=C9)[N+](C)(C)C)[N-]3.[C-]#N.[C-]#N.[Co+3]
InChI	InChI=1S/C56H60N8.2CN.Co/c1-61(2,3)41-21-13-37(14-22-41)53-45-29-31-47(57-45)54(38-15-23-42(24-16-38)62(4,5)6)49-33-35-51(59-49)56(40-19-27-44(28-20-40)64(10,11)12)52-36-34-50(60-52)55(48-32-30-46(53)58-48)39-17-25-43(26-18-39)63(7,8)9;2*1-2;/h13-36H,1-12H3;/q+2;2*-1;+3
InChI Key	VXVMNKDBCMOFPJ-UHFFFAOYSA-N
Purity	98%
Complexity	1240
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	955.433435
Heavy Atom Count	69
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Monoisotopic Mass	955.433435
Rotatable Bond Count	8
Topological Polar Surface Area	75.4 Ų