Chem
J-GLOBAL ID:200907002055392784   Nikkaji number:J2.598.778K

5,27-[1,4-Phenylenebis(1-propyne-1,3-diyl)]-16,38-[1,4-phenylenebis(1-propyne-1,3-diyl)]-5,16,27,38-tetraazapentacyclo[40.2.2.29,12.220,23.231,34]dopentacontane-1(44),9,11,20,22,31,33,42,45,47,49,51-dodecaene-2,7,13,18,24,29,35,40-octayne

1,12,23,34-テトラアザノナシクロ[21.21.10.1012,34.25,8.216,19.227,30.238,41.248,51.262,65]ヘキサヘプタコンタ-5,7,16,18,27,29,38,40,48,50,55,57,62,64,69,71,73,75-オクタデカエン-3,9,14,20,25,31,36,42,46,52,60,66-ドデカイン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C72H48N4
Molecular formula furigana: C72-H48-N4
Molecular weight: 969.204
InChI: InChI=1S/C72H48N4/c1-13-61-25-27-62(28-26-61)16-4-52-74-53-7-19-67-37-41-69(42-38-67)21-9-57-75-55-5-17-65-33-29-63(30-34-65)14-2-50-73(49-1)51-3-15-64-31-35-66(36-32-64)18-6-56-76(58-10-22-70-43-39-68(40-44-70)20-8-54-74)60-12-24-72-47-45-71(46-48-72)23-11-59-75/h25-48H,49-60H2
InChI key: IGUHYLJEILLQOD-UHFFFAOYSA-N
SMILES: C1C#Cc2ccc(cc2)C#CCN2CC#Cc3ccc(cc3)C#CCN3CC#Cc4ccc(cc4)C#CCN1CC#Cc1ccc(cc1)C#CCN(CC#Cc1ccc(cc1)C#CC2)CC#Cc1ccc(cc1)C#CC3
Systematic name  (3):
  • 5,27-[1,4-フェニレンビス(1-プロピン-1,3-ジイル)]-16,38-[1,4-フェニレンビス(1-プロピン-1,3-ジイル)]-5,16,27,38-テトラアザペンタシクロ[40.2.2.29,12.220,23.231,34]ドペンタコンタン-1(44),9,11,20,22,31,33,42,45,47,49,51-ドデカエン-2,7,13,18,24,29,35,40-オクタイン
  • 1,12,23,34-テトラアザノナシクロ[21.21.10.1012,34.25,8.216,19.227,30.238,41.248,51.262,65]ヘキサヘプタコンタ-5,7,16,18,27,29,38,40,48,50,55,57,62,64,69,71,73,75-オクタデカエン-3,9,14,20,25,31,36,42,46,52,60,66-ドデカイン
  • 1,12,23,34-tetraazanonacyclo[21.21.10.1012,34.25,8.216,19.227,30.238,41.248,51.262,65]hexaheptaconta-5,7,16,18,27,29,38,40,48,50,55,57,62,64,69,71,73,75-octadecaen-3,9,14,20,25,31,36,42,46,52,60,66-dodecayne
Other name (1):
  • 5,27-[1,4-Phenylenebis(1-propyne-1,3-diyl)]-16,38-[1,4-phenylenebis(1-propyne-1,3-diyl)]-5,16,27,38-tetraazapentacyclo[40.2.2.29,12.220,23.231,34]dopentacontane-1(44),9,11,20,22,31,33,42,45,47,49,51-dodecaene-2,7,13,18,24,29,35,40-octayne
Thsaurus map:

Return to Previous Page