Copper;5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide

Catalog Number	ACM19414665-1
CAS	19414-66-5
Structure
Synonyms	Meso-Tetratolylporphyrin-Cu(II)
Molecular Weight	732.4
Molecular Formula	C48H36CuN4
Canonical SMILES	CC1=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)C)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C)[N-]3.[Cu+2]
InChI	InChI=1S/C48H36N4.Cu/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35;/h5-28H,1-4H3;/q-2;+2
InChI Key	JHELMKOEBWMCNA-UHFFFAOYSA-N
Purity	95%
Exact Mass	731.223594
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	731.223594
Rotatable Bond Count	4
Topological Polar Surface Area	26.7 Ų