2,5-Dihydro-2,2-dimethyl-1,5-bis[4-[trifluoromethyl]phenyl]-1H-imidazo[4,5-B]phenazine

SpectraBase Compound ID	AM4tiMPkqaY
InChI	InChI=1S/C29H20F6N4/c1-27(2)37-23-16-25-22(15-26(23)39(27)20-13-9-18(10-14-20)29(33,34)35)36-21-5-3-4-6-24(21)38(25)19-11-7-17(8-12-19)28(30,31)32/h3-16H,1-2H3
InChIKey	BWDWAGYHZFDALF-UHFFFAOYSA-N Google Search
Mol Weight	538.5 g/mol
Molecular Formula	C29H20F6N4
Exact Mass	538.159216 g/mol

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SpectraBase Spectrum ID	7wY8POmJbae
Name	2,5-Dihydro-2,2-dimethyl-1,5-bis[4-[trifluoromethyl]phenyl]-1H-imidazo[4,5-B]phenazine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	538.159215638 u
Formula	C29H20F6N4
InChI	InChI=1S/C29H20F6N4/c1-27(2)37-23-16-25-22(15-26(23)39(27)20-13-9-18(10-14-20)29(33,34)35)36-21-5-3-4-6-24(21)38(25)19-11-7-17(8-12-19)28(30,31)32/h3-16H,1-2H3
InChIKey	BWDWAGYHZFDALF-UHFFFAOYSA-N
Molecular Weight	538.497 g/mol
SMILES	C12=C(N=C3C(N2C2=CC=C(C=C2)C(F)(F)F)=CC=2C(=C3)N(C(N2)(C)C)C2=CC=C(C=C2)C(F)(F)F)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.921235