1,3-Bis{6'-[3-(4-pyrimidinyl)phenyl]-4,4'-bipyrimidin-6-yl}benzene

SpectraBase Compound ID	HL9xGDRDsMq
InChI	InChI=1S/C42H26N12/c1-4-27(33-10-12-43-21-45-33)14-29(6-1)35-17-39(51-23-47-35)41-19-37(49-25-53-41)31-8-3-9-32(16-31)38-20-42(54-26-50-38)40-18-36(48-24-52-40)30-7-2-5-28(15-30)34-11-13-44-22-46-34/h1-26H
InChIKey	XKVXBJBFMHGCHB-UHFFFAOYSA-N Google Search
Mol Weight	698.8 g/mol
Molecular Formula	C42H26N12
Exact Mass	698.240339 g/mol

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SpectraBase Spectrum ID	LBmMlkkK6DN
Name	1,3-Bis{6'-[3-(4-pyrimidinyl)phenyl]-4,4'-bipyrimidin-6-yl}benzene
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C42H26N12
InChI	InChI=1S/C42H26N12/c1-4-27(33-10-12-43-21-45-33)14-29(6-1)35-17-39(51-23-47-35)41-19-37(49-25-53-41)31-8-3-9-32(16-31)38-20-42(54-26-50-38)40-18-36(48-24-52-40)30-7-2-5-28(15-30)34-11-13-44-22-46-34/h1-26H
InChIKey	XKVXBJBFMHGCHB-UHFFFAOYSA-N
Molecular Weight	698.754 g/mol
SMILES	c1(cccc(c1)-c1ncncc1)-c1ncnc(c1)-c1ncnc(c1)-c1cccc(-c2ncnc(-c3cc(ncn3)-c3cccc(c3)-c3ncncc3)c2)c1
SPLASH	splash10-0002-0000109000-ea11e91d5f9fae4ca4a1
Source of Spectrum	K-113-2747-2747_2
Synonyms	1,3-bis(6'-(3-(pyrimidin-4-yl)phenyl)-[4,4'-bipyrimidin]-6-yl)benzene
Wiley ID	1794401