1,6,7,12-Tetrakis(4-tert-butylphenoxy)-N,N'-bis(2,6-diisopropylphenyl)-3,4,9,10-perylenetetracarboxylic Diimide
Catalog Number
ACM112078087-1
CAS
112078-08-7
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
1303.69
Molecular Formula
C88H90N2O8
Product Information
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
InChIKey
FWBMUFREAVBYDX-UHFFFAOYSA-N
Melting Point
260 °C
Purity
>98.0%HPLCN
Appearance
Orange to Brown to Dark red powder to crystal
storage
Store under inert gas
Complexity
2400
Condition To Avoid
Light Sensitive
Heavy Atom Count
98
MDL Number
MFCD15145478
Reaxys Registry Number
19511823
Rotatable Bond Count
18
Monoisotopic Mass
1302.669718g/mol
Exact Mass
1302.669718g/mol
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