Chem
J-GLOBAL ID：200907026287479238
Nikkaji number：J1.291.731G
10,10′-Bi[5,15-bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin]
10,10′-ビ[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： C96H106N8
Molecular formula furigana： C96-H106-N8
Molecular weight： 1371.960
InChI：
InChI=1S/C96H106N8/c1-89(2,3)59-41-55(42-60(49-59)90(4,5)6)83-71-29-25-67(97-71)53-68-26-30-72(98-68)84(56-43-61(91(7,8)9)50-62(44-56)92(10,11)12)76-34-38-80(102-76)87(79-37-33-75(83)101-79)88-81-39-35-77(103-81)85(57-45-63(93(13,14)15)51-64(46-57)94(16,17)18)73-31-27-69(99-73)54-70-28-32-74(100-70)86(78-36-40-82(88)104-78)58-47-65(95(19,20)21)52-66(48-58)96(22,23)24/h25-54,97,99,102,104H,1-24H3/b67-53-,68-53-,69-54-,70-54-,83-71-,83-75-,84-72-,84-76-,85-73-,85-77-,86-74-,86-78-,87-79+,87-80+,88-81+,88-82+
InChI key：
SGJLKUDKYGNYMT-BNOBJLFJSA-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)[nH]4)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/C=C3)\C\1=c\3/cc/c(=C(/C4=N/C(=C\c5ccc(/C(=C\6/C=CC1=N6)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[nH]5)/C=C4)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/[nH]3)/[nH]2
Systematic name (2)：
- 5,5′,15,15′-テトラキス(3,5-ジ-tert-ブチルフェニル)-10,10′-ビ[21H,23H-ポルフィリン]
- 10,10′-ビ[5,15-ビス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン]
- 10,10′-Bi[5,15-bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin]
- 5,5′,15,15′-Tetrakis(3,5-di-tert-butylphenyl)-10,10′-bi[21H,23H-porphyrin]
Return to Previous Page
