2,21,23,42-Tetraoxa-1,22(1,3,4)-dibenzena-43(2,9)-1,10-phenanthrolinabicyclo[20.20.1]tritetracontaphane

SpectraBase Compound ID	LCHCaQ2ZKbu
InChI	InChI=1S/C60H84N2O4/c1-2-6-10-14-18-22-26-30-44-64-56-42-37-51-47-58(56)66-46-32-28-24-20-16-12-8-4-3-7-11-15-19-23-27-31-45-65-57-48-52(63-43-29-25-21-17-13-9-5-1)38-39-53(57)55-41-36-50-34-33-49-35-40-54(51)61-59(49)60(50)62-55/h33-42,47-48H,1-32,43-46H2
InChIKey	HMUFJBCHYHNDOS-UHFFFAOYSA-N Google Search
Mol Weight	897.3 g/mol
Molecular Formula	C60H84N2O4
Exact Mass	896.643109 g/mol

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SpectraBase Spectrum ID	HCdj7A0Zybp
Name	2,21,23,42-Tetraoxa-1,22(1,3,4)-dibenzena-43(2,9)-1,10-phenanthrolinabicyclo[20.20.1]tritetracontaphane
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	896.643109189 u
Formula	C60H84N2O4
InChI	InChI=1S/C60H84N2O4/c1-2-6-10-14-18-22-26-30-44-64-56-42-37-51-47-58(56)66-46-32-28-24-20-16-12-8-4-3-7-11-15-19-23-27-31-45-65-57-48-52(63-43-29-25-21-17-13-9-5-1)38-39-53(57)55-41-36-50-34-33-49-35-40-54(51)61-59(49)60(50)62-55/h33-42,47-48H,1-32,43-46H2
InChIKey	HMUFJBCHYHNDOS-UHFFFAOYSA-N
Molecular Weight	897.342 g/mol
SMILES	C12=NC=3C=4C=5OCCCCCCCCCCCCCCCCCCOC6=CC(C=7N=C2C(C=CC1=CC3)=CC7)=CC=C6OCCCCCCCCCCCCCCCCCCOC(=CC4)C5