900774

Di-PDI

• 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
• Empirical Formula (Hill Notation): C₉₂H₁₀₆N₄O₈
• CAS Number: 1609131-78-3
• Molecular Weight: 1395.85
• MDL number: MFCD31619161
• UNSPSC Code: 12352101
• NACRES: NA.23

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

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk: WGK 3