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
Product Information
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
InChIKey
DKPOGYJJFLIBKP-UHFFFAOYSA-M
Melting Point
>300 ℃
Purity
>95%
Complexity
1360
Hazard Statements
H334
Heavy Atom Count
42
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
0
Precautionary Statements
P260 P262
Rotatable Bond Count
8
Signal Word
Danger
Monoisotopic Mass
743.316306
Topological Polar Surface Area
43.8 Ų
Exact Mass
743.316306
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