Chem
J-GLOBAL ID：200907057812431546   Nikkaji number：J2.768.448C

1-(Propargyloxy)-4-[10,15,20-tris(4-methylphenyl)-21H,23H-porphyrin-5-yl]benzene

1-(プロパルギルオキシ)-4-[10,15,20-トリス(4-メチルフェニル)-21H,23H-ポルフィリン-5-イル]ベンゼン
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： C50H38N4O
Molecular formula furigana： C50-H38-N4-O
Molecular weight： 710.881
InChI： InChI=1S/C50H38N4O/c1-5-30-55-38-20-18-37(19-21-38)50-45-28-26-43(53-45)48(35-14-8-32(3)9-15-35)41-24-22-39(51-41)47(34-12-6-31(2)7-13-34)40-23-25-42(52-40)49(44-27-29-46(50)54-44)36-16-10-33(4)11-17-36/h1,6-29,51,54H,30H2,2-4H3/b47-39-,47-40-,48-41-,48-43-,49-42-,49-44-,50-45-,50-46-
InChI key： ULSZQSPNPPJFQL-VZQFQVGISA-N
SMILES： Cc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(C)cc1)[nH]4)/c1ccc(OCC#C)cc1)/C=C3)\c1ccc(C)cc1)/[nH]2
Systematic name  (3)：
  • 1-(プロパルギルオキシ)-4-[10,15,20-トリス(4-メチルフェニル)-21H,23H-ポルフィリン-5-イル]ベンゼン
  • 2,12,17-トリス(4-メチルフェニル)-7-[4-(プロパ-2-イン-1-イルオキシ)フェニル]-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
  • 2,12,17-tris(4-methylphenyl)-7-[4-(prop-2-yn-1-yloxy)phenyl]-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 (1)：
  • 1-(Propargyloxy)-4-[10,15,20-tris(4-methylphenyl)-21H,23H-porphyrin-5-yl]benzene
Thsaurus map：
Thesaurus Map

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