Chem
J-GLOBAL ID：200907079259523287
Nikkaji number：J1.059.327A
2,2′-[(2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-21H,23H-porphyrin-5,15-diyl)bis(2,1-phenylene)bisethylene]bis(5,10,15,20-tetraphenyl-21H,23H-porphyrin)
2,2′-[(2,8,12,18-テトラブチル-3,7,13,17-テトラメチル-21H,23H-ポルフィリン-5,15-ジイル)ビス(2,1-フェニレン)ビスエチレン]ビス(5,10,15,20-テトラフェニル-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： C144H126N12
Molecular formula furigana： C144-H126-N12
Molecular weight： 2024.676
InChI：
InChI=1S/C144H126N12/c1-9-13-63-105-89(5)139-137(109-67-43-41-45-93(109)69-71-103-85-127-133(99-55-33-21-34-56-99)119-79-77-115(147-119)129(95-47-25-17-26-48-95)111-73-75-113(145-111)131(97-51-29-19-30-52-97)117-81-83-121(149-117)135(143(103)155-127)101-59-37-23-38-60-101)140-91(7)107(65-15-11-3)125(153-140)88-126-108(66-16-12-4)92(8)142(154-126)138(141-90(6)106(64-14-10-2)124(152-141)87-123(105)151-139)110-68-44-42-46-94(110)70-72-104-86-128-134(100-57-35-22-36-58-100)120-80-78-116(148-120)130(96-49-27-18-28-50-96)112-74-76-114(146-112)132(98-53-31-20-32-54-98)118-82-84-122(150-118)136(144(104)156-128)102-61-39-24-40-62-102/h17-62,67-68,73-88,145-146,151,154-156H,9-16,63-66,69-72H2,1-8H3/b123-87-,124-87-,125-88-,126-88-,129-111-,129-115-,130-112-,130-116-,131-113-,131-117-,132-114-,132-118-,133-119-,133-127-,134-120-,134-128-,135-121-,136-122-,139-137-,140-137-,141-138-,142-138-,143-135-,144-136-
InChI key：
SXMQSUIKUDFKGP-HGMOWEPRSA-N
SMILES：
CCCCC1=C(C)C2=N/C/1=C\c1[nH]c(c(C)c1CCCC)/C(=C/1\N=C(/C=c/3\[nH]/c(=C\2/c2ccccc2CCc2cc4[nH]c2/C(=C\2/C=CC(=N2)/C(=c\2/cc/c(=C(\c5ccccc5)/C5=N/C(=C\4/c4ccccc4)/C=C5)/[nH]2)/c2ccccc2)/c2ccccc2)/c(C)c3CCCC)C(=C1C)CCCC)/c1ccccc1CCc1cc2[nH]c1/C(=C\1/C=CC(=N1)/C(=c\1/cc/c(=C(\c3ccccc3)/C3=N/C(=C\2/c2ccccc2)/C=C3)/[nH]1)/c1ccccc1)/c1ccccc1
Systematic name (3)：
- 2,2′-[(2,8,12,18-テトラブチル-3,7,13,17-テトラメチル-21H,23H-ポルフィリン-5,15-ジイル)ビス(2,1-フェニレン)ビスエチレン]ビス(5,10,15,20-テトラフェニル-21H,23H-ポルフィリン)
- 5,9,15,19-テトラブチル-4,10,14,20-テトラメチル-2,12-ビス[2-(2-{2,7,12,17-テトラフェニル-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-4-イル}エチル)フェニル]-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
- 5,9,15,19-tetrabutyl-4,10,14,20-tetramethyl-2,12-bis[2-(2-{2,7,12,17-tetraphenyl-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-undecaen-4-yl}ethyl)phenyl]-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
- 2,2′-[(2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-21H,23H-porphyrin-5,15-diyl)bis(2,1-phenylene)bisethylene]bis(5,10,15,20-tetraphenyl-21H,23H-porphyrin)
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