2,3,7,8,12,13,17,18-Octaethyl-5-(4-ethynyl-phenyl)-10-phenylporphyrin

SpectraBase Compound ID	LAxFGXQD0Ho
InChI	InChI=1S/C50H54N4/c1-10-30-24-26-32(27-25-30)46-48-38(16-7)36(14-5)44(53-48)29-42-34(12-3)33(11-2)41(51-42)28-43-35(13-4)37(15-6)47(52-43)45(31-22-20-19-21-23-31)49-39(17-8)40(18-9)50(46)54-49/h1,19-29,52-53H,11-18H2,2-9H3/b41-28-,42-29-,43-28-,44-29-,47-45-,48-46-,49-45-,50-46-
InChIKey	DPYSYBBIXQNWFU-UJNLUZDSSA-N Google Search
Mol Weight	711.0 g/mol
Molecular Formula	C50H54N4
Exact Mass	710.434848 g/mol

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SpectraBase Spectrum ID	7K1eFh5SHR1
Name	2,3,7,8,12,13,17,18-Octaethyl-5-(4-ethynyl-phenyl)-10-phenylporphyrin
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	710.434847755 u
Formula	C50H54N4
InChI	InChI=1S/C50H54N4/c1-10-30-24-26-32(27-25-30)46-48-38(16-7)36(14-5)44(53-48)29-42-34(12-3)33(11-2)41(51-42)28-43-35(13-4)37(15-6)47(52-43)45(31-22-20-19-21-23-31)49-39(17-8)40(18-9)50(46)54-49/h1,19-29,52-53H,11-18H2,2-9H3/b41-28-,42-29-,43-28-,44-29-,47-45-,48-46-,49-45-,50-46-
InChIKey	DPYSYBBIXQNWFU-UJNLUZDSSA-N
SMILES	C1=2N=C(C(=C3NC(=CC4=NC(=CC=5NC(C2C=2C=CC(C#C)=CC2)=C(C5CC)CC)C(=C4CC)CC)C(=C3CC)CC)C=2C=CC=CC2)C(=C1CC)CC