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2,2',2''-(pyrimidine-2,4,6-triyltribenzene-4,1-diyl)tris(5-nitro-1H-isoindole-1,3(2H)-dione)

Catalog ID
STK030779
SMILES O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)c1cc(nc(n1)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])[N+](=O)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C46H22N8O12 MW 878.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H22N8O12/c55-41-32-16-13-29(52(61)62)19-35(32)44(58)49(41)26-7-1-23(2-8-26)38-22-39(24-3-9-27(10-4-24)50-42(56)33-17-14-30(53(63)64)20-36(33)45(50)59)48-40(47-38)25-5-11-28(12-6-25)51-43(57)34-18-15-31(54(65)66)21-37(34)46(51)60/h1-22H
InChIKey
WGWAYLBPEMPMLS-UHFFFAOYSA-N
Synonyms

2(4(26bis(4(5nitro13dioxoisoindol2yl)phenyl)pyrimidin4yl)phenyl)5nitroisoindole13dione
222(PYRIMIDINE246TRIYLTRIBENZENE41DIYL)TRIS(5NITRO1HISOINDOLE13(2H)DIONE)
C1=CC(=CC=C1C2=CC(=NC(=N2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)(N+)(=O)(O))C6=CC=C(C=C6)N7C(=O)C8=C(C7=O)C=C(C=C8)(N+)(=O)(O))N9C(=O)C1=C(C9=O)C=C(C=C1)(N+)(=O)(O)
InChI=1SC46H22N8O12c554132161329(52(61)62)1935(32)44(58)49(41)267123(2826)382239(243927(10424)5042(56)33171430(53(63)64)2036(33)45(50)59)4840(4738)2551128(12625)5143(57)34181531(54(65)66)2137(34)46(51)60h122H
MFCD00609997
O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)c1cc(nc(n1)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O))c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O))(N+)(=O)(O)
STK030779
ZINC000150403713
ZINC150403713

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Available files

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