Chem
J-GLOBAL ID:200907041464534308
Nikkaji number:J706.472A
1,9:17,25-Bis[(pyridine-2,6-diyl)bismethylene]-7,3:15,11:23,19:31,27-tetraepinitrilo-1,9,17,25-tetraazacyclodotriacontane-4,6,12,14,20,22,28,30-octaene
1,9:17,25-ビス[(ピリジン-2,6-ジイル)ビスメチレン]-7,3:15,11:23,19:31,27-テトラエピニトリロ-1,9,17,25-テトラアザシクロドトリアコンタン-4,6,12,14,20,22,28,30-オクタエン
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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:
C42 H42 N10
Molecular formula furigana:
C42-H42-N10
Molecular weight:
686.868
InChI:
InChI=1S/C42H42N10/c1-7-31-19-49-21-33-9-2-10-34(44-33)22-50(20-32(8-1)43-31)28-40-16-6-18-42(48-40)30-52-24-36-12-3-11-35(45-36)23-51(25-37-13-4-14-38(26-52)46-37)29-41-17-5-15-39(27-49)47-41/h1-18H,19-30H2
InChI key:
UPGBYBLGRULSBY-UHFFFAOYSA-N
SMILES:
C1N2Cc3cccc(CN(Cc4cccc1n4)Cc1cccc(CN4Cc5cccc(CN(Cc6cccc(C2)n6)Cc2cccc(C4)n2)n5)n1)n3
Systematic name (5):
3,11:19,27-ビス(ピリジン-2,6-ジイルビスメチレン)-3,11,19,27,33,34,35,36-オクタアザペンタシクロ[27.3.1.15,9 .113,17 .121,25 ]ヘキサトリアコンタ-1(33),5(36),6,8,13,15,17(35),21,23,25(34),29,31-ドデカエン
1,9:17,25-ビス[(ピリジン-2,6-ジイル)ビスメチレン]-7,3:15,11:23,19:31,27-テトラエピニトリロ-1,9,17,25-テトラアザシクロドトリアコンタン-4,6,12,14,20,22,28,30-オクタエン
3,11:19,27-ビス(2,6-ピリジンジイルビスメチレン)-3,11,19,27,33,34,35,36-オクタアザペンタシクロ[27.3.1.15,9 .113,17 .121,25 ]ヘキサトリアコンタ-1(33),5(36),6,8,13(35),14,16,21(34),22,24,29,31-ドデカエン
1,9,17,25,40,41,42,50,51,52-デカアザノナシクロ[23.7.7.79,17 .13,7 .111,15 .119,23 .127,31 .134,38 .144,48 ]ドペンタコンタ-3,5,7(51),11,13,15(50),19,21,23(42),27,29,31(41),34,36,38(40),44,46,48(52)-オクタデカエン
1,9,17,25,40,41,42,50,51,52-decaazanonacyclo[23.7.7.79,17 .13,7 .111,15 .119,23 .127,31 .134,38 .144,48 ]dopentaconta-3,5,7(51),11,13,15(50),19,21,23(42),27,29,31(41),34,36,38(40),44,46,48(52)-octadecaene
Other name (3):
3,11:19,27-Bis(pyridine-2,6-diylbismethylene)-3,11,19,27,33,34,35,36-octaazapentacyclo[27.3.1.15,9 .113,17 .121,25 ]hexatriaconta-1(33),5(36),6,8,13,15,17(35),21,23,25(34),29,31-dodecaene
1,9:17,25-Bis[(pyridine-2,6-diyl)bismethylene]-7,3:15,11:23,19:31,27-tetraepinitrilo-1,9,17,25-tetraazacyclodotriacontane-4,6,12,14,20,22,28,30-octaene
3,11:19,27-Bis(2,6-pyridinediylbismethylene)-3,11,19,27,33,34,35,36-octaazapentacyclo[27.3.1.15,9 .113,17 .121,25 ]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21(34),22,24,29,31-dodecaene
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