Pt(II) octaethylporphine ketone

Catalog Number	ACM172617468-1
CAS	172617-46-8
Synonyms	3,3,7,8,12,13,17,18-Octaethylporphyrin-22,24-diid-2-one;platinum(2+)
Molecular Weight	743.84
Molecular Formula	C36H44N4OPt
Canonical SMILES	CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(C3=O)(CC)CC)CC.[Pt+2]
InChI	InChI=1S/C36H45N4O.Pt/c1-9-21-22(10-2)28-18-30-25(13-5)26(14-6)32(39-30)20-34-36(15-7,16-8)35(41)33(40-34)19-31-24(12-4)23(11-3)29(38-31)17-27(21)37-28;/h17-20H,9-16H2,1-8H3,(H-,37,38,39,40,41);/q-1;+2/p-1
InChI Key	DKPOGYJJFLIBKP-UHFFFAOYSA-M
Melting Point	>300 ℃
Purity	>95%
Complexity	1360
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	743.316306
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Monoisotopic Mass	743.316306
Rotatable Bond Count	8
Topological Polar Surface Area	43.8 Ų