9,9',10,10'-Tetraphenyl-anti-[2.2](1,4) anthracenophane

SpectraBase Compound ID	KEFAu7K6MhT
InChI	InChI=1S/C56H40/c1-5-17-37(18-6-1)49-45-25-13-14-26-46(45)50(38-19-7-2-8-20-38)54-42-30-29-41(53(49)54)33-34-43-31-32-44(36-35-42)56-52(40-23-11-4-12-24-40)48-28-16-15-27-47(48)51(55(43)56)39-21-9-3-10-22-39/h1-32H,33-36H2
InChIKey	DOIRUVMJMPUONZ-UHFFFAOYSA-N Google Search
Mol Weight	712.9 g/mol
Molecular Formula	C56H40
Exact Mass	712.313001 g/mol

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SpectraBase Spectrum ID	BJhO4Iyo6UB
Name	9,9',10,10'-Tetraphenyl-anti-[2.2](1,4) anthracenophane
Alternate Name(s)	6,13,20,27-tetraphenylheptacyclo[16.10.2.2(4,15).0(5,14).0(7,12).0(19,28).0(21,26)]dotriaconta-1(29),4,6,8,10,12,14,18(30),19,21,23,25,27,31-tetradecaene
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C56H40
InChI	InChI=1S/C56H40/c1-5-17-37(18-6-1)49-45-25-13-14-26-46(45)50(38-19-7-2-8-20-38)54-42-30-29-41(53(49)54)33-34-43-31-32-44(36-35-42)56-52(40-23-11-4-12-24-40)48-28-16-15-27-47(48)51(55(43)56)39-21-9-3-10-22-39/h1-32H,33-36H2
InChIKey	DOIRUVMJMPUONZ-UHFFFAOYSA-N
Molecular Weight	712.936 g/mol
SMILES	c1(c2c(c3CCc4c5c(c6ccccc6c(c5c(CCc2cc3)cc4)-c2ccccc2)-c2ccccc2)c(c2c1cccc2)-c1ccccc1)-c1ccccc1
SPLASH	splash10-0a4i-0009000300-17b66379b40d430a81eb
Source of Spectrum	K-126-2533-5
Wiley ID	1415427