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

ChEBI IDCHEBI:52159
ChEBI NameN,N-bis(2,4,6-trimethylphenyl)-3,4:9,10-perylenebis(dicarboximide)
Stars
ASCII NameN,N-bis(2,4,6-trimethylphenyl)-3,4:9,10-perylenebis(dicarboximide)
Last Modified18 March 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC42H30N2O4
Net Charge0
Average Mass626.712
Monoisotopic Mass626.22056
SMILESCc1cc(C)c(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2c(C)cc(C)cc2C)C6=O)c(C)c1
InChIInChI=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
InChIKeyXJCJXSPIEIOVOE-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Beilstein:5206754Beilstein