CAS 209111-67-1 N,N'-di-(n-octyl)-1,7-dibroMoperylene-3,4:9,10-tetracarboxylic acid bisiMide

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Organic Light-Emitting Diode (OLED) Materials

N,N'-di-(n-octyl)-1,7-dibroMoperylene-3,4:9,10-tetracarboxylic acid bisiMide

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Catalog Number

ACM209111671

Product Name

N,N'-di-(n-octyl)-1,7-dibroMoperylene-3,4:9,10-tetracarboxylic acid bisiMide

CAS

209111-67-1

Category

Organic Light-Emitting Diode (OLED) Materials

IUPAC Name

11,22-dibromo-7,18-dioctyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone

Molecular Weight

772.6g/mol

Molecular Formula

C40H40Br2N2O4

Canonical SMILES

CCCCCCCCN1C(=O)C2=C3C(=CC(=C4C3=C(C=C2)C5=C(C=C6C7=C(C=CC4=C57)C(=O)N(C6=O)CCCCCCCC)Br)Br)C1=O

InChI

InChI=1S/C40H40Br2N2O4/c1-3-5-7-9-11-13-19-43-37(45)25-17-15-23-34-30(42)22-28-32-26(38(46)44(40(28)48)20-14-12-10-8-6-4-2)18-16-24(36(32)34)33-29(41)21-27(39(43)47)31(25)35(23)33/h15-18,21-22H,3-14,19-20H2,1-2H3

InChI Key

JFVLXCZVJSJPFG-UHFFFAOYSA-N

Complexity

1140

Covalently-Bonded Unit Count

Exact Mass

772.13343g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

770.13548g/mol

Rotatable Bond Count