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Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(5-bromoselenophene-2-yl)-2,5-dihydro-2,5-bis(2-octyldodecyl)-

HCID 178911348
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Basic information

CAS
1370512-50-7
Standard SMILES
CCCCCCCCCCC(CCCCCCCC)CN1C(=O)C2=C(c3ccc(Br)[se]3)N(CC(CCCCCCCC)CCCCCCCCCC)C(=O)C2=C1c1ccc(Br)[se]1
InChIKey
LJBZQVCFOYQXPK-UHFFFAOYSA-N
Molecular formula
C54H86Br2N2O2Se2
Average molar mass
1,113 g/mol

Names & identifiers

Preferred name
Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(5-bromoselenophene-2-yl)-2,5-dihydro-2,5-bis(2-octyldodecyl)-
IUPAC
1,4-bis(5-bromoselenophen-2-yl)-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-3,6-dione
English name
DPP-xifen-C8C12-2Br
Molecular formula
C54H86Br2N2O2Se2
Molecular weight
1113

Names & synonyms

1370512-50-7Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(5-bromoselenophene-2-yl)-2,5-dihydro-2,5-bis(2-octyldodecyl)-3,6-Bis(5-bromoselenophene-2-yl)-2,5-dihydro-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-1,4-dionePyrrolo[3,4-c]pyrrole-1,4-dione,3,6-bis(5-bromoselenophene-2-yl)-2,5-dihydro-2,5-bis(2-octyldodecyl)-DPP88DPP-xifen-C8C12-2Br

Database identifiers

CAS
1370512-50-7
Nikkaji
J3.068.390K

Properties

Computed structural properties

Topological polar surface area
40.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
38
Heavy atoms
62
Formal charge
0
Complexity
1,220

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