Chem
J-GLOBAL ID：200907055674871057
Nikkaji number：J2.160.317A
5-(4-Pyridyl)-10,15,20-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin
5-(4-ピリジル)-10,15,20-トリス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン
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
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
Molecular formula： C67H77N5
Molecular formula furigana： C67-H77-N5
Molecular weight： 952.388
InChI：
InChI=1S/C67H77N5/c1-62(2,3)44-31-41(32-45(37-44)63(4,5)6)59-52-21-19-50(69-52)58(40-27-29-68-30-28-40)51-20-22-53(70-51)60(42-33-46(64(7,8)9)38-47(34-42)65(10,11)12)55-24-26-57(72-55)61(56-25-23-54(59)71-56)43-35-48(66(13,14)15)39-49(36-43)67(16,17)18/h19-39,69,72H,1-18H3/b58-50-,58-51-,59-52-,59-54-,60-53-,60-55-,61-56-,61-57-
InChI key：
YJPPQVZUVKUITE-PFFRFRPKSA-N
SMILES：
CC(C)(C)c1cc(cc(c1)C(C)(C)C)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccncc1)[nH]4)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/C=C3)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/[nH]2
Systematic name (2)：
- 5,10,15-トリス(3,5-ジ-tert-ブチルフェニル)-20-(4-ピリジニル)-21H,23H-ポルフィリン
- 5-(4-ピリジル)-10,15,20-トリス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン
- 5,10,15-Tris(3,5-di-tert-butylphenyl)-20-(4-pyridinyl)-21H,23H-porphyrin
- 5-(4-Pyridyl)-10,15,20-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin
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