Chem
J-GLOBAL ID：200907083617985155   Nikkaji number：J2.039.740C

5,10,15,20-Tetrakis(9,9-dioctyl-9H-fluoren-2-yl)-21H,23H-porphyrin

5,10,15,20-テトラキス(9,9-ジオクチル-9H-フルオレン-2-イル)-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： C136H174N4
Molecular formula furigana： C136-H174-N4
Molecular weight： 1864.916
InChI： InChI=1S/C136H174N4/c1-9-17-25-33-41-57-89-133(90-58-42-34-26-18-10-2)113-69-53-49-65-105(113)109-77-73-101(97-117(109)133)129-121-81-83-123(137-121)130(102-74-78-110-106-66-50-54-70-114(106)134(118(110)98-102,91-59-43-35-27-19-11-3)92-60-44-36-28-20-12-4)125-85-87-127(139-125)132(104-76-80-112-108-68-52-56-72-116(108)136(120(112)100-104,95-63-47-39-31-23-15-7)96-64-48-40-32-24-16-8)128-88-86-126(140-128)131(124-84-82-122(129)138-124)103-75-79-111-107-67-51-55-71-115(107)135(119(111)99-103,93-61-45-37-29-21-13-5)94-62-46-38-30-22-14-6/h49-56,65-88,97-100,137,140H,9-48,57-64,89-96H2,1-8H3/b129-121-,129-122-,130-123-,130-125-,131-124-,131-126-,132-127-,132-128-
InChI key： WMLXGPNDYYPOAV-QMMUCHMZSA-N
SMILES： CCCCCCCCC1(CCCCCCCC)c2ccccc2c2ccc(cc12)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc5c6ccccc6C(CCCCCCCC)(CCCCCCCC)c5c1)[nH]4)/c1ccc4c5ccccc5C(CCCCCCCC)(CCCCCCCC)c4c1)/C=C3)\c1ccc3c4ccccc4C(CCCCCCCC)(CCCCCCCC)c3c1)/[nH]2
Systematic name  (3)：
  • 5,10,15,20-テトラキス(9,9-ジオクチル-9H-フルオレン-2-イル)-21H,23H-ポルフィリン
  • 2,7,12,17-テトラキス(9,9-ジオクチル-9H-フルオレン-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
  • 2,7,12,17-tetrakis(9,9-dioctyl-9H-fluoren-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)：
  • 5,10,15,20-Tetrakis(9,9-dioctyl-9H-fluoren-2-yl)-21H,23H-porphyrin
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