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2,5-Di(2-C6C10)-3,6-di(thiophen-2-yl)-diketopyrrolopyrrole

2,5-Di(2-C6C10)-3,6-di(thiophen-2-yl)-diketopyrrolopyrrole structure

CAS No:
1044598-80-2
Formula:
C46H72N2O2S2
Chemical Name:
2,5-Di(2-C6C10)-3,6-di(thiophen-2-yl)-diketopyrrolopyrrole
Synonyms:
2,5-Bis(2-hexyldecyl)-3,6-di(2-thienyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione;SCHEMBL793165;MFCD29923947;SY036039;2,5-Bis(2-hexyldecyl)-3,6-bis(2-thienyl)pyrrolo[3,4-c]pyrrole-1,4-dione;Pyrrolo[3,4-c]pyrrole-1,4-dione, 2,5-bis(2-hexyldecyl)-2,5-dihydro-3,6-di-2-thienyl-

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2,5-Di(2-C6C10)-3,6-di(thiophen-2-yl)-diketopyrrolopyrrole Basic Attributes

Molecular Weight：

749.214

Exact Mass：

748.50400

EC Number：

-0

Characteristics

PSA：

100.48000

XLogP3：

14.68400

Density：

1.06±0.1 g/cm3(Predicted)

Boiling Point：

820.3±65.0 °C(Predicted)

Computed Properties

Molecular Weight:749.2
XLogP3:16.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:30
Exact Mass:748.50352189
Monoisotopic Mass:748.50352189
Topological Polar Surface Area:97.1
Heavy Atom Count:52
Complexity:1030
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,5-Di(2-C6C10)-3,6-di(thiophen-2-yl)-diketopyrrolopyrrole

Basic Attributes
Characteristics
Computed Properties

2,5-Di(2-C6C10)-3,6-di(thiophen-2-yl)-diketopyrrolopyrrole

SDS

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