Tetra-(m-butoxyphenyl)porphin copper(II) complex

Catalog Number	ACM175406618
CAS	175406-61-8
Synonyms	Copper;5,10,15,20-tetrakis(3-butoxyphenyl)porphyrin-22,24-diide
Molecular Weight	964.69
Molecular Formula	C60H60CuN4O4
Canonical SMILES	CCCCOC1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC(=CC=C7)OCCCC)C8=CC(=CC=C8)OCCCC)C=C4)C9=CC(=CC=C9)OCCCC)[N-]3.[Cu+2]
InChI	InChI=1S/C60H60N4O4.Cu/c1-5-9-33-65-45-21-13-17-41(37-45)57-49-25-27-51(61-49)58(42-18-14-22-46(38-42)66-34-10-6-2)53-29-31-55(63-53)60(44-20-16-24-48(40-44)68-36-12-8-4)56-32-30-54(64-56)59(52-28-26-50(57)62-52)43-19-15-23-47(39-43)67-35-11-7-3;/h13-32,37-40H,5-12,33-36H2,1-4H3;/q-2;+2
InChI Key	BRLAFDIDVMFMLQ-UHFFFAOYSA-N
Purity	98%
Complexity	1650
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	963.391054
Heavy Atom Count	69
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Monoisotopic Mass	963.391054
Rotatable Bond Count	20
Topological Polar Surface Area	63.6 Ų