Chem
J-GLOBAL ID：200907034581264013
Nikkaji number：J1.059.322K
2,2′-[(2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-21H,23H-porphyrin-5,15-diyl)bis(4,1-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(4,1-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/c1-9-13-57-107-89(5)139-137(103-67-61-93(62-68-103)65-71-105-85-127-133(99-49-33-21-34-50-99)119-79-77-115(147-119)129(95-41-25-17-26-42-95)111-73-75-113(145-111)131(97-45-29-19-30-46-97)117-81-83-121(149-117)135(143(105)155-127)101-53-37-23-38-54-101)140-91(7)109(59-15-11-3)125(153-140)88-126-110(60-16-12-4)92(8)142(154-126)138(141-90(6)108(58-14-10-2)124(152-141)87-123(107)151-139)104-69-63-94(64-70-104)66-72-106-86-128-134(100-51-35-22-36-52-100)120-80-78-116(148-120)130(96-43-27-18-28-44-96)112-74-76-114(146-112)132(98-47-31-20-32-48-98)118-82-84-122(150-118)136(144(106)156-128)102-55-39-24-40-56-102/h17-56,61-64,67-70,73-88,145-146,151,154-156H,9-16,57-60,65-66,71-72H2,1-8H3/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：
KJUJFQRMDIMYGL-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/c2ccc(CCc4cc5[nH]c4/C(=C\4/C=CC(=N4)/C(=c\4/cc/c(=C(\c6ccccc6)/C6=N/C(=C\5/c5ccccc5)/C=C6)/[nH]4)/c4ccccc4)/c4ccccc4)cc2)/c(C)c3CCCC)C(=C1C)CCCC)/c1ccc(CCc2cc3[nH]c2/C(=C\2/C=CC(=N2)/C(=c\2/cc/c(=C(\c4ccccc4)/C4=N/C(=C\3/c3ccccc3)/C=C4)/[nH]2)/c2ccccc2)/c2ccccc2)cc1
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(4,1-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[4-(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[4-(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(4,1-phenylene)bisethylene]bis(5,10,15,20-tetraphenyl-21H,23H-porphyrin)
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