Hexabenzo[e,i,m,s,w,a1][1,4,15,18]tetraazacyclooctacosine

SpectraBase Compound ID	AzhJ2SKC8Fh
InChI	InChI=1S/C48H36N4/c1-3-17-39-29-31-41-19-5-7-21-43(41)35-51-48-28-12-10-26-46(48)50-34-14-24-38-16-2-4-18-40(38)30-32-42-20-6-8-22-44(42)36-52-47-27-11-9-25-45(47)49-33-13-23-37(39)15-1/h1-36H/b23-13-,24-14-,31-29-,32-30-,33-13-,34-14-,37-23-,38-24-,39-29-,40-30-,41-31-,42-32-,43-35-,44-36-,49-33-,49-45-,50-34-,50-46-,51-35-,51-48-,52-36-,52-47-
InChIKey	PWXYRSZMQLJWRK-SRJPNGQZSA-N Google Search
Mol Weight	668.8 g/mol
Molecular Formula	C48H36N4
Exact Mass	668.293997 g/mol

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SpectraBase Spectrum ID	9nyZTBpvy0C
Name	Hexabenzo[e,i,m,s,w,a1][1,4,15,18]tetraazacyclooctacosine
CAS Registry Number	69395-37-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C48H36N4
InChI	InChI=1S/C48H36N4/c1-3-17-39-29-31-41-19-5-7-21-43(41)35-51-48-28-12-10-26-46(48)50-34-14-24-38-16-2-4-18-40(38)30-32-42-20-6-8-22-44(42)36-52-47-27-11-9-25-45(47)49-33-13-23-37(39)15-1/h1-36H/b23-13-,24-14-,31-29-,32-30-,33-13-,34-14-,37-23-,38-24-,39-29-,40-30-,41-31-,42-32-,43-35-,44-36-,49-33-,49-45-,50-34-,50-46-,51-35-,51-48-,52-36-,52-47-
InChIKey	PWXYRSZMQLJWRK-SRJPNGQZSA-N
Molecular Weight	668.844 g/mol
SMILES	c12\C=N/c3c(\N=C/C=C\c4c(\C=C/c5c(\C=N/c6c(\N=C/C=C\c7c(\C=C/c2cccc1)cccc7)cccc6)cccc5)cccc4)cccc3
SPLASH	splash10-0159-1795005000-98954b1fcae80f91cab7
Source of Spectrum	H-61-2821-0
Synonyms	Hexabenzo[b,f,j,p,t,x]-1,4,15,18-tetraazacyclooctacosene Hexabenzo[b,f,j,p,t,x][1,4,15,18]tetraazacyclooctacosine
Wiley ID	1413880