Chem
J-GLOBAL ID：200907066350507087   Nikkaji number：J1.295.062D

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)-3,8,13,18-tetramethyl-7,12,17-triethyl-21H,23H-porphyrin

2-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-3,8,13,18-テトラメチル-7,12,17-トリエチル-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： C36H45BN4O2
Molecular formula furigana： C36-H45-B-N4-O2
Molecular weight： 576.590
InChI： InChI=1S/C36H45BN4O2/c1-12-23-19(4)26-16-31-25(14-3)21(6)28(40-31)18-33-34(37-42-35(8,9)36(10,11)43-37)22(7)29(41-33)17-32-24(13-2)20(5)27(39-32)15-30(23)38-26/h15-18,38,41H,12-14H2,1-11H3/b26-16-,27-15-,28-18-,29-17-,30-15-,31-16-,32-17-,33-18-
InChI key： FOWXGHGHAGPULW-WMJYWNPXSA-N
SMILES： CCC1=C(C)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4C)CC)C(=C3C)CC)c(c1C)B1OC(C)(C)C(C)(C)O1
Systematic name  (3)：
  • 2-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-3,8,13,18-テトラメチル-7,12,17-トリエチル-21H,23H-ポルフィリン
  • 9,14,19-トリエチル-5,10,15,20-テトラメチル-4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-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
  • 9,14,19-triethyl-5,10,15,20-tetramethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-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)：
  • 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)-3,8,13,18-tetramethyl-7,12,17-triethyl-21H,23H-porphyrin
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