Chem
J-GLOBAL ID:200907087857159738
Nikkaji number:J1.577.238G
meso-Tetraethynylporphyrin
meso-テトラエチニルポリフィリン
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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:
C28 H14 N4
Molecular formula furigana:
C28-H14-N4
Molecular weight:
406.448
InChI:
InChI=1S/C28H14N4/c1-5-17-21-9-11-23(29-21)18(6-2)25-13-15-27(31-25)20(8-4)28-16-14-26(32-28)19(7-3)24-12-10-22(17)30-24/h1-4,9-16,29,32H/b21-17-,22-17-,23-18-,24-19-,25-18-,26-19-,27-20-,28-20-
InChI key:
AUATWRRQOLDIHI-QQNCXGLQSA-N
SMILES:
C#C/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/C#C)[nH]4)/C#C)/C=C3)\C#C)/[nH]2
Systematic name (3):
5,10,15,20-テトラエチニル-21H,23H-ポルフィリン
2,7,12,17-テトラエチニル-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6 .18,11 .113,16 ]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン
2,7,12,17-tetraethynyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6 .18,11 .113,16 ]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Other name (3):
5,10,15,20-Tetraethynyl-21H,23H-porphyrin
meso-テトラエチニルポリフィリン
meso-Tetraethynylporphyrin
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