Cu(II) meso-tetra(N-methyl-4-pyridyl) porphine tetrachloride

Catalog Number	ACM79407877
CAS	79407-87-7
Synonyms	5,10,15,20-Tetrakis(N-methyl-4-pyridyl)-porphyrin-Cu(II) tetrachloride
Molecular Weight	882.17
Molecular Formula	C44H36Cl4CuN8
Canonical SMILES	C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)[N-]3.[Cl-].[Cl-].[Cl-].[Cl-].[Cu+2]
InChI	InChI=1S/C44H36N8.4ClH.Cu/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;/h5-28H,1-4H3;4*1H;/q+2;+2/p-4
InChI Key	HQBQUMQOOUMUKH-UHFFFAOYSA-J
Purity	98%
Complexity	1460
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
Exact Mass	881.108351
Heavy Atom Count	57
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Monoisotopic Mass	881.108351
Rotatable Bond Count	4
Topological Polar Surface Area	42.2 Ų