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2,5-Bis(2-octyldodecyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

2,5-Bis(2-octyldodecyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione structure

CAS No:
1267540-02-2
Formula:
C54H88N2O2S2
Chemical Name:
2,5-Bis(2-octyldodecyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
Synonyms:
DPPDT;1267540-02-2;2,5-Bis(2-octyldodecyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione;SCHEMBL1460020;N,N"-bis(2-octyl1-dodecyl)-3,6-dithienyl-1,4-diketopyrrolo[3,4-c]pyrrole;2,5-bis(2-octyldodecyl)-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione;2,5-bis(2-octyldodecyl)-3,6-di(thiophen-2-yl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione;2,5-dihydro-2,5-bis(2-octyldodecyl)-3,6-di-2-thienyl-pyrrolo[3,4-c]pyrrole-1,4-dione;2,5bis(2-octyldodecyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2h,5h)-dione;2,5-Bis(2-octyldodecyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione 1267540-02-2
Categories:
Organic Chemistry > Coordination Complexes

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2,5-Bis(2-octyldodecyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione Basic Attributes

Molecular Weight：

861.41872

Exact Mass：

860.62900

EC Number：

-0

Characteristics

PSA：

97.1

XLogP3：

17.80480

Density：

1.03±0.1 g/cm3(Predicted)

Melting Point：

76.0-77.8℃ (chloroformhexane )

Boiling Point：

883.6±65.0 °C(Predicted)

Computed Properties

Molecular Weight:861.4
XLogP3:20.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:38
Exact Mass:860.62872240
Monoisotopic Mass:860.62872240
Topological Polar Surface Area:97.1
Heavy Atom Count:60
Complexity:1150
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,5-Bis(2-octyldodecyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

Basic Attributes
Characteristics
Computed Properties
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2,5-Bis(2-octyldodecyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

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