Chem
J-GLOBAL ID:200907050780419021   Nikkaji number:J2.596.768B

5,10,20-Tris(4-pentylphenyl)-15-[4-(3-pyridinylcarbonyl)phenyl]-21H,23H-porphyrin

5,10,20-トリス(4-ペンチルフェニル)-15-[4-(3-ピリジニルカルボニル)フェニル]-21H,23H-ポルフィリン
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: C65H63N5O
Molecular formula furigana: C65-H63-N5-O
Molecular weight: 930.253
InChI: InChI=1S/C65H63N5O/c1-4-7-10-14-44-18-24-47(25-19-44)61-53-34-36-55(67-53)62(48-26-20-45(21-27-48)15-11-8-5-2)57-38-40-59(69-57)64(50-30-32-51(33-31-50)65(71)52-17-13-42-66-43-52)60-41-39-58(70-60)63(56-37-35-54(61)68-56)49-28-22-46(23-29-49)16-12-9-6-3/h13,17-43,67,70H,4-12,14-16H2,1-3H3/b61-53-,61-54-,62-55-,62-57-,63-56-,63-58-,64-59-,64-60-
InChI key: XEJXFXKYPJBUJF-WJVFOVLXSA-N
SMILES: CCCCCc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(CCCCC)cc1)[nH]4)/c1ccc(cc1)C(=O)c1cccnc1)/C=C3)\c1ccc(CCCCC)cc1)/[nH]2
Systematic name  (3):
  • 5,10,20-トリス(4-ペンチルフェニル)-15-[4-(3-ピリジニルカルボニル)フェニル]-21H,23H-ポルフィリン
  • 2,12,17-トリス(4-ペンチルフェニル)-7-[4-(ピリジン-3-カルボニル)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-pentylphenyl)-7-[4-(pyridine-3-carbonyl)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):
  • 5,10,20-Tris(4-pentylphenyl)-15-[4-(3-pyridinylcarbonyl)phenyl]-21H,23H-porphyrin
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