1,4,5,8-Tetraphenyl-10-methylene[5](9,10)anthracenophane

SpectraBase Compound ID	2mCoKtHLNd2
InChI	InChI=1S/C44H36/c1-2-16-26-40-43-37(33-21-11-5-12-22-33)29-27-35(31-17-7-3-8-18-31)41(43)39(25-15-1)42-36(32-19-9-4-10-20-32)28-30-38(44(40)42)34-23-13-6-14-24-34/h3-14,17-25,27-30,40H,1-2,15-16,26H2/b39-25-/t40-/m0/s1
InChIKey	PXPANKGEZYKCGZ-BZFSWPTRSA-N Google Search
Mol Weight	564.8 g/mol
Molecular Formula	C44H36
Exact Mass	564.281701 g/mol

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SpectraBase Spectrum ID	JHdF3tcU0oJ
Name	1,4,5,8-Tetraphenyl-10-methylene[5](9,10)anthracenophane
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C44H36
InChI	InChI=1S/C44H36/c1-2-16-26-40-43-37(33-21-11-5-12-22-33)29-27-35(31-17-7-3-8-18-31)41(43)39(25-15-1)42-36(32-19-9-4-10-20-32)28-30-38(44(40)42)34-23-13-6-14-24-34/h3-14,17-25,27-30,40H,1-2,15-16,26H2/b39-25-/t40-/m0/s1
InChIKey	PXPANKGEZYKCGZ-BZFSWPTRSA-N
Molecular Weight	564.772 g/mol
SMILES	c12\C=3c4c([C@](c2c(-c2ccccc2)ccc1-c1ccccc1)(CCCCCC\3)[H])c(ccc4-c1ccccc1)-c1ccccc1
SPLASH	splash10-014i-9000010000-478f9a64e2597fb7108a
Source of Spectrum	C-118-9496-2
Synonyms	3,6,10,13-tetraphenyltetracyclo[6.6.6.0(2,7).0(9,14)]icosa-1(15),2,4,6,9,11,13-heptaene
Wiley ID	760024