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900774

Di-PDI

Name: Di-PDI
Brand: ALDRICH

Synonym(s):

2,2′,9,9′-Tetrakis(1-pentylhexyl)-[5,5′-bianthra[2,1,9-def:6,5,10-d′ e′ f′]diisoquinoline]-1,1′,3,3′,8,8′,10,10′(2H,2′H,9H,9′H)-octone

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About This Item

Empirical Formula (Hill Notation):

C₉₂H₁₀₆N₄O₈

CAS Number:

1609131-78-3

Molecular Weight:

1395.85

MDL number:

MFCD31619161

UNSPSC Code:

12352101

NACRES:

NA.23

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Properties

description

Band gap: 2.06 eV

Quality Segment

100

assay

≥97%

form

powder

solubility

chloroform: soluble, dichlorobenzene: soluble

orbital energy

HOMO -5.81 eV , LUMO -3.75 eV

SMILES string

N1(C(=O)c2c3c4c(c%12c%13c(c4ccc3C1=O)ccc%14c%13c(cc%12)C(=O)N(C%14=O)C(CCCCC)CCCCC)c(c2)c5c6c7c(c9c%10c6ccc%11c%10c(cc9)C(=O)N(C%11=O)C(CCCCC)CCCCC)ccc8c7c(c5)C(=O)N(C8=O)C(CCCCC)CCCCC)C(CCCCC)CCCCC

InChI key

SROWQESEJZYBTR-UHFFFAOYSA-N

Description

Storage Class

11 - Combustible Solids

wgk

WGK 3

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