1,4,7,10,13,16-Hexakis[(2,2'-bipyridin-6-yl)methyl]-1,4,7,10,13,16-hexaazacyclooctadecane

SpectraBase Compound ID	7Pg5R3mJJq6
InChI	InChI=1S/C78H78N18/c1-7-37-79-67(25-1)73-31-13-19-61(85-73)55-91-43-45-92(56-62-20-14-32-74(86-62)68-26-2-8-38-80-68)47-49-94(58-64-22-16-34-76(88-64)70-28-4-10-40-82-70)51-53-96(60-66-24-18-36-78(90-66)72-30-6-12-42-84-72)54-52-95(59-65-23-17-35-77(89-65)71-29-5-11-41-83-71)50-48-93(46-44-91)57-63-21-15-33-75(87-63)69-27-3-9-39-81-69/h1-42H,43-60H2
InChIKey	KZFHSYORECFMRE-UHFFFAOYSA-N Google Search
Mol Weight	1267.6 g/mol
Molecular Formula	C78H78N18
Exact Mass	1266.665685 g/mol

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SpectraBase Spectrum ID	I5JKpZscS9g
Name	1,4,7,10,13,16-Hexakis[(2,2'-bipyridin-6-yl)methyl]-1,4,7,10,13,16-hexaazacyclooctadecane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C78H78N18
InChI	InChI=1S/C78H78N18/c1-7-37-79-67(25-1)73-31-13-19-61(85-73)55-91-43-45-92(56-62-20-14-32-74(86-62)68-26-2-8-38-80-68)47-49-94(58-64-22-16-34-76(88-64)70-28-4-10-40-82-70)51-53-96(60-66-24-18-36-78(90-66)72-30-6-12-42-84-72)54-52-95(59-65-23-17-35-77(89-65)71-29-5-11-41-83-71)50-48-93(46-44-91)57-63-21-15-33-75(87-63)69-27-3-9-39-81-69/h1-42H,43-60H2
InChIKey	KZFHSYORECFMRE-UHFFFAOYSA-N
Molecular Weight	1267.608 g/mol
SMILES	c1(nc(ccc1)CN1CCN(Cc2nc(-c3ncccc3)ccc2)CCN(Cc2nc(-c3ncccc3)ccc2)CCN(CCN(CCN(CC1)Cc1nc(-c2ncccc2)ccc1)Cc1nc(-c2ncccc2)ccc1)Cc1nc(-c2ncccc2)ccc1)-c1ncccc1
SPLASH	splash10-014j-5090000000-50c736c36903a48c1a25
Source of Spectrum	H-73-1158-4
Synonyms	1,4,7,10,13,16-hexakis({[6-(pyridin-2-yl)pyridin-2-yl]methyl})-1,4,7,10,13,16-hexaazacyclooctadecane
Wiley ID	1418773