Cu(II) meso-tetra (4-N,N,N-trimethylanilinium) porphyrin tetrachloride

Catalog Number	ACM79408165
CAS	79408-16-5
Synonyms	5,10,15,20-Tetrakis(4-N,N,N-trimethylanilinium)porphyrin-Cu(II) tetrachloride
Molecular Weight	1050.5
Molecular Formula	C56H60Cl4CuN8
Canonical SMILES	C[N+](C)(C)C1=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)[N+](C)(C)C)C8=CC=C(C=C8)[N+](C)(C)C)C=C4)C9=CC=C(C=C9)[N+](C)(C)C)[N-]3.[Cl-].[Cl-].[Cl-].[Cl-].[Cu+2]
InChI	InChI=1S/C56H60N8.4ClH.Cu/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;/h13-36H,1-12H3;4*1H;/q+2;+2/p-4
InChI Key	BDDRHYKDJIKRRC-UHFFFAOYSA-J
Purity	98%
Complexity	1700
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
Exact Mass	1049.296152
Heavy Atom Count	69
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Monoisotopic Mass	1047.299102
Rotatable Bond Count	8
Topological Polar Surface Area	26.7 Ų