Chem
J-GLOBAL ID：200907020115673581
Nikkaji number：J2.323.114J
2,8,12,18-Tetrahexyl-3,7,13,17-tetramethyl-5,15-bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin
2,8,12,18-テトラヘキシル-3,7,13,17-テトラメチル-5,15-ビス(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： C76H110N4
Molecular formula furigana： C76-H110-N4
Molecular weight： 1079.744
InChI：
InChI=1S/C76H110N4/c1-21-25-29-33-37-59-49(5)69-67(53-41-55(73(9,10)11)45-56(42-53)74(12,13)14)70-51(7)61(39-35-31-27-23-3)65(79-70)48-66-62(40-36-32-28-24-4)52(8)72(80-66)68(54-43-57(75(15,16)17)46-58(44-54)76(18,19)20)71-50(6)60(38-34-30-26-22-2)64(78-71)47-63(59)77-69/h41-48,77,80H,21-40H2,1-20H3/b63-47-,64-47-,65-48-,66-48-,69-67-,70-67-,71-68-,72-68-
InChI key：
SIDDPVJQFYNZFV-NCVMCSRWSA-N
SMILES：
CCCCCCC1=C(C)C2=N/C/1=C\c1[nH]c(c(C)c1CCCCCC)/C(=C/1\N=C(/C=c/3\[nH]/c(=C\2/c2cc(cc(c2)C(C)(C)C)C(C)(C)C)/c(C)c3CCCCCC)C(=C1C)CCCCCC)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Systematic name (2)：
- 5,15-ビス(3,5-ジ-tert-ブチルフェニル)-2,8,12,18-テトラヘキシル-3,7,13,17-テトラメチル-21H,23H-ポルフィリン
- 2,8,12,18-テトラヘキシル-3,7,13,17-テトラメチル-5,15-ビス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン
- 5,15-Bis(3,5-di-tert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-21H,23H-porphyrin
- 2,8,12,18-Tetrahexyl-3,7,13,17-tetramethyl-5,15-bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin
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