CAS 112078-08-7 1,6,7,12-Tetrakis(4-tert-butylphenoxy)-N,N'-bis(2,6-diisopropylphenyl)-3,4,9,10-perylenetetracarboxylic Diimide, ≥98%

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Organic Light-Emitting Diode (OLED) Materials

1,6,7,12-Tetrakis(4-tert-butylphenoxy)-N,N'-bis(2,6-diisopropylphenyl)-3,4,9,10-perylenetetracarboxylic Diimide, ≥98%

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Catalog Number

ACM112078087-2

Product Name

1,6,7,12-Tetrakis(4-tert-butylphenoxy)-N,N'-bis(2,6-diisopropylphenyl)-3,4,9,10-perylenetetracarboxylic Diimide, ≥98%

CAS

112078-08-7

Category

Organic Light-Emitting Diode (OLED) Materials

IUPAC Name

11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

Molecular Weight

1303.7g/mol

Molecular Formula

C88H90N2O8

Canonical SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=CC(=C4C5=C(C=C6C7=C5C(=C(C=C7C(=O)N(C6=O)C8=C(C=CC=C8C(C)C)C(C)C)OC9=CC=C(C=C9)C(C)(C)C)C1=C(C=C(C3=C41)C2=O)OC1=CC=C(C=C1)C(C)(C)C)OC1=CC=C(C=C1)C(C)(C)C)OC1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C88H90N2O8/c1-47(2)59-23-21-24-60(48(3)4)79(59)89-81(91)63-43-67(95-55-35-27-51(28-36-55)85(9,10)11)73-75-69(97-57-39-31-53(32-40-57)87(15,16)17)45-65-72-66(84(94)90(83(65)93)80-61(49(5)6)25-22-26-62(80)50(7)8)46-70(98-58-41-33-54(34-42-58)88(18,19)20)76(78(72)75)74-68(44-64(82(89)92)71(63)77(73)74)96-56-37-29-52(30-38-56)86(12,13)14/h21-50H,1-20H3

InChI Key

FWBMUFREAVBYDX-UHFFFAOYSA-N

Complexity

2400

Covalently-Bonded Unit Count

Exact Mass

1302.669718g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

1302.669718g/mol

Rotatable Bond Count