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CHEBI:39916 - (S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine}

ChEBI IDCHEBI:39916
ChEBI Name(S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine}
Stars
ASCII Name(S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine}
DefinitionA substituted diphenylfuran in which two amino[(1-methylbutyl)amino]methyl substituents are located at the two para-positions on the phenyl rings.
Last Modified16 April 2012
DownloadsMolfile
FormulaC28H40N4O
Net Charge0
Average Mass448.655
Monoisotopic Mass448.32021
SMILESCCC[C@@H](C)N[C@H](N)c1ccc(-c2ccc(-c3ccc([C@@H](N)N[C@H](C)CCC)cc3)o2)cc1
InChIInChI=1S/C28H40N4O/c1-5-7-19(3)31-27(29)23-13-9-21(10-14-23)25-17-18-26(33-25)22-11-15-24(16-12-22)28(30)32-20(4)8-6-2/h9-20,27-28,31-32H,5-8,29-30H2,1-4H3/t19-,20-,27+,28+/m1/s1
InChIKeyAWOSZNMNWGRQCU-SJWRPRNESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine} (CHEBI:39916) has parent hydride 2,5-diphenylfuran (CHEBI:50459)
(S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine} (CHEBI:39916) is a aminal (CHEBI:35412)
(S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine} (CHEBI:39916) is a substituted diphenylfuran (CHEBI:50460)
IUPAC Name 
(S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine}
Synonym  Source
2,5-BIS{[4-(2-PENTYL)DIAMINOMETHYL]PHENYL}FURANPDBeChem
Manual XrefsDatabases
3AFPDBeChem