Chem
J-GLOBAL ID：200907010877937211   Nikkaji number：J696.350A

Sapphyrin

サフィリン
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： C24H17N5
Molecular formula furigana： C24-H17-N5
Molecular weight： 375.435
InChI： InChI=1S/C24H17N5/c1-2-16-12-18-4-6-20(27-18)14-22-8-10-24(29-22)23-9-7-21(28-23)13-19-5-3-17(26-19)11-15(1)25-16/h1-14,25,28-29H/b15-11-,16-12-,17-11-,18-12-,19-13-,20-14-,21-13-,22-14+,24-23+
InChI key： COFLCBMDHTVQRA-SGFXPFSBSA-N
SMILES： C1=C/C/2=C/c3ccc([nH]3)c3ccc(/C=C\4/C=CC(=N4)/C=c\4/cc/c(=C/C1=N2)/[nH]4)[nH]3
Systematic name  (1)：
  • 25,26,27,28,29-ペンタアザヘキサシクロ[20.2.1.12,5.17,10.112,15.117,20]ノナコサ-1,3,5,7(28),8,10,12,14,16,18,20(26),21,23-トリデカエン
Other name (3)：
  • サフィリン
  • Sapphyrin
  • 25,26,27,28,29-Pentaazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1,3,5,7(28),8,10,12,14,16,18,20(26),21,23-tridecene
CAS registry number： 134020-79-4
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