![N(2),N(2)-[bis[2,5-di(t-butyl)phenyl]-N(1)-(4-aminobutyl)-N(1),N(1)-(1,4-butanediyl)-bis{3,4:9,10-perylenetetracarboxydiimide](/api/spectrum/Fxtn0YYxgRr/structure.png?h=300&w=458 "N(2),N(2)-[bis[2,5-di(t-butyl)phenyl]-N(1)-(4-aminobutyl)-N(1),N(1)-(1,4-butanediyl)-bis{3,4:9,10-perylenetetracarboxydiimide")
| SpectraBase Compound ID | 8iUC3u0fsHo |
|---|---|
| InChI | InChI=1S/C80H66N4O8/c1-77(2,3)39-15-33-57(79(7,8)9)59(37-39)83-73(89)53-29-21-45-41-17-25-49-65-50(26-18-42(61(41)65)46-22-30-54(74(83)90)67(53)63(45)46)70(86)81(69(49)85)35-13-14-36-82-71(87)51-27-19-43-47-23-31-55-68-56(32-24-48(64(47)68)44-20-28-52(72(82)88)66(51)62(43)44)76(92)84(75(55)91)60-38-40(78(4,5)6)16-34-58(60)80(10,11)12/h15-34,37-38H,13-14,35-36H2,1-12H3 |
| InChIKey | FJOZDONXRKYETK-UHFFFAOYSA-N |
| Mol Weight | 1211.4 g/mol |
| Molecular Formula | C80H66N4O8 |
| Exact Mass | 1210.488065 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fxtn0YYxgRr |
|---|---|
| Name | N(2),N(2)-[bis[2,5-di(t-butyl)phenyl]-N(1)-(4-aminobutyl)-N(1),N(1)-(1,4-butanediyl)-bis{3,4:9,10-perylenetetracarboxydiimide |
| Alternate Name(s) | 7-(2,5-di-tert-butylphenyl)-18-{4-[18-(2,5-di-tert-butylphenyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.2(2,5).0(3,12).0(4,9).0(13,23).0(20,24)]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]butyl}-7,18-diazaheptacyclo[14.6.2.2(2,5).0(3,12).0(4,9).0(13,23).0(20,24)]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone |
| CAS Registry Number | 130296-45-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C80H66N4O8 |
| InChI | InChI=1S/C80H66N4O8/c1-77(2,3)39-15-33-57(79(7,8)9)59(37-39)83-73(89)53-29-21-45-41-17-25-49-65-50(26-18-42(61(41)65)46-22-30-54(74(83)90)67(53)63(45)46)70(86)81(69(49)85)35-13-14-36-82-71(87)51-27-19-43-47-23-31-55-68-56(32-24-48(64(47)68)44-20-28-52(72(82)88)66(51)62(43)44)76(92)84(75(55)91)60-38-40(78(4,5)6)16-34-58(60)80(10,11)12/h15-34,37-38H,13-14,35-36H2,1-12H3 |
| InChIKey | FJOZDONXRKYETK-UHFFFAOYSA-N |
| Molecular Weight | 1211.428 g/mol |
| SMILES | C1(N(C(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(N(C3=O)CCCCN1C(c2ccc3c4c2c(C1=O)ccc4c1c2c4c(C(=O)N(C(c4cc1)=O)c1c(ccc(c1)C(C)(C)C)C(C)(C)C)ccc32)=O)=O)=O)c1c(ccc(c1)C(C)(C)C)C(C)(C)C)=O |
| SPLASH | splash10-0udi-0900040000-615e0f608f5f7f864743 |
| Source of Spectrum | K-124-534-6 |
| Wiley ID | 1418731 |