(5,10,15,20-Tetraphenylporphyrinato)cobalt(III)

Catalog Number	ACM38414016
CAS	38414-01-6
Synonyms	Cobalt(3+);5,10,15,20-tetraphenylporphyrin-22,24-diide
Molecular Weight	671.7
Molecular Formula	C44H28CoN4
Canonical SMILES	C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Co+3]
InChI	InChI=1S/C44H28N4.Co/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+3
InChI Key	ZMPKDYPCHTXPCA-UHFFFAOYSA-N
Purity	98%
Complexity	1250
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	671.16459
Heavy Atom Count	49
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	671.16459
Rotatable Bond Count	4
Topological Polar Surface Area	26.7 Ų