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Platinum octaethylporphyrin

Catalog Number ACM31248392-5
CAS 31248-39-2
Structure Platinum octaethylporphyrin
Description PtOEP is an oxygen-quenchable luminescent dye.
Synonyms 2,3,7,8,12,13,17,18-Octaethylporphyrin-22,24-diide;platinum(2+)
IUPAC Name 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;platinum(2+)
Molecular Weight 727.8
Molecular Formula C36H44N4Pt
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(=C3CC)CC)CC.[Pt+2]
InChI InChI=1S/C36H44N4.Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2
InChI Key WAODGUVBNLMTSF-UHFFFAOYSA-N
Melting Point >300 °C
Purity 95%+
Application Platinum octaethylporphyrin (PtOEP) may be used as a fluorescent dye in the fabrication of polymer- and silica-based oxygen sensors. It is used as a red triplet emitting material with high external quantum yields for OLEDs. PtOEP is used as a dopant in host materials like CBP and Alq3. Its red emission is near 650 nm depending on host material and processing conditions.
Storage room temp
Complexity 1150
Covalently-Bonded Unit Count 2
Exact Mass 727.321392
Formal Charge 0
Heavy Atom Count 41
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
MDL Number MFCD00672301
Monoisotopic Mass 727.321392
Rotatable Bond Count 8
Topological Polar Surface Area 26.7 Ų

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