Chem
J-GLOBAL ID：201507078112208611
Nikkaji number：J3.333.396J
25-Bromo-2,4,6,8,10,12,14,16,18,20,22,24-dodecaazapentacyclo[19.3.1.13,7.19,13.115,19]octacosane-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene
25-ブロモ-2,4,6,8,10,12,14,16,18,20,22,24-ドデカアザペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
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
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
Molecular formula： C16H11BrN12
Molecular formula furigana： C16-H11-BR-N12
Molecular weight： 451.252
InChI：
InChI=1S/C16H11BrN12/c17-14-15-24-7-25-16(14)29-13-3-11(21-6-23-13)27-9-1-8(18-4-19-9)26-10-2-12(28-15)22-5-20-10/h1-7H,(H4,18,19,20,21,22,23,24,25,26,27,28,29)
InChI key：
XGWHCJVJNJQYAL-UHFFFAOYSA-N
SMILES：
Brc1c2ncnc1Nc1cc(ncn1)Nc1cc(ncn1)Nc1cc(ncn1)N2
Systematic name (3)：
- 25-ブロモ-2,4,6,8,10,12,14,16,18,20,22,24-ドデカアザペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサン-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-ドデカエン
- 25-ブロモ-2,4,6,8,10,12,14,16,18,20,22,24-ドデカアザペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
- 25-bromo-2,4,6,8,10,12,14,16,18,20,22,24-dodecaazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
- 25-Bromo-2,4,6,8,10,12,14,16,18,20,22,24-dodecaazapentacyclo[19.3.1.13,7.19,13.115,19]octacosane-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene
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