Chem
J-GLOBAL ID：200907096385788409   Nikkaji number：J1.205.935C

2,4:6,8:10,12-Tris[2,3]naphthaleno-1,3,5,7,9,11-hexaazacyclododeca-1,4,6,8-tetrene

2,4:6,8:10,12-トリス[2,3]ナフタレノ-1,3,5,7,9,11-ヘキサアザシクロドデカ-1,4,6,8-テトラエン
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： C36H22N6
Molecular formula furigana： C36-H22-N6
Molecular weight： 538.614
InChI： InChI=1S/C36H22N6/c1-2-8-20-14-26-25(13-19(20)7-1)31-37-32(26)41-34-29-17-23-11-5-6-12-24(23)18-30(29)36(39-34)42-35-28-16-22-10-4-3-9-21(22)15-27(28)33(38-35)40-31/h1-18,31-32,37H,(H,38,39,40,41,42)
InChI key： LVGMTTRJYGOYAJ-UHFFFAOYSA-N
SMILES： N1C2/N=C/3\N=C(N=c4[nH]c(=NC1c1cc5ccccc5cc21)c1cc2ccccc2cc41)c1cc2ccccc2cc31
Systematic name  (3)：
  • 2,4:6,8:10,12-トリス[2,3]ナフタレノ-1,3,5,7,9,11-ヘキサアザシクロドデカ-1,4,6,8-テトラエン
  • (14Z)-2,15,28,40,41,42-ヘキサアザデカシクロ[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]ドテトラコンタ-1,3(42),4(13),5,7,9,11,14,17(26),18,20,22,24,28,30,32,34,36,38-ノナデカエン
  • (14Z)-2,15,28,40,41,42-hexaazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,3(42),4(13),5,7,9,11,14,17(26),18,20,22,24,28,30,32,34,36,38-nonadecaene
Other name (1)：
  • 2,4:6,8:10,12-Tris[2,3]naphthaleno-1,3,5,7,9,11-hexaazacyclododeca-1,4,6,8-tetrene
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