CHEBI:52159 - N,N-bis(2,4,6-trimethylphenyl)-3,4:9,10-perylenebis(dicarboximide)

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ChEBI Name N,N-bis(2,4,6-trimethylphenyl)-3,4:9,10-perylenebis(dicarboximide)
ChEBI ID CHEBI:52159
ChEBI ASCII Name N,N-bis(2,4,6-trimethylphenyl)-3,4:9,10-perylenebis(dicarboximide)
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H30N2O4
Net Charge 0
Average Mass 626.69860
Monoisotopic Mass 626.22056
InChI InChI=1S/C42H30N2O4/c1-19-15-21(3)37(22(4)16-19)43-39(45)29-11-7-25-27-9-13-31-36-32(42(48)44(41(31)47)38-23(5)17-20(2)18-24(38)6)14-10-28(34(27)36)26-8-12-30(40(43)46)35(29)33(25)26/h7-18H,1-6H3
InChIKey XJCJXSPIEIOVOE-UHFFFAOYSA-N
SMILES Cc1cc(C)c(c(C)c1)-n1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(-c1c(C)cc(C)cc1C)c5=O
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
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ChEBI Ontology
Outgoing N,N-bis(2,4,6-trimethylphenyl)-3,4:9,10-perylenebis(dicarboximide) (CHEBI:52159) has role fluorochrome (CHEBI:51217)
N,N-bis(2,4,6-trimethylphenyl)-3,4:9,10-perylenebis(dicarboximide) (CHEBI:52159) is a organic heteroheptacyclic compound (CHEBI:52157)
IUPAC Name
2,9-bis(2,4,6-trimethylphenyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
Registry Number Type Source
5206754 Beilstein Registry Number Beilstein
Last Modified
18 March 2009