Chem
J-GLOBAL ID：200907038598675322
Nikkaji number：J1.059.324G
2,2′-[(2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-21H,23H-porphyrin-5,15-diyl)bis(3,1-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(3,1-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/c1-9-13-63-107-89(5)139-137(103-61-41-43-93(83-103)67-69-105-85-127-133(99-53-33-21-34-54-99)119-77-75-115(147-119)129(95-45-25-17-26-46-95)111-71-73-113(145-111)131(97-49-29-19-30-50-97)117-79-81-121(149-117)135(143(105)155-127)101-57-37-23-38-58-101)140-91(7)109(65-15-11-3)125(153-140)88-126-110(66-16-12-4)92(8)142(154-126)138(141-90(6)108(64-14-10-2)124(152-141)87-123(107)151-139)104-62-42-44-94(84-104)68-70-106-86-128-134(100-55-35-22-36-56-100)120-78-76-116(148-120)130(96-47-27-18-28-48-96)112-72-74-114(146-112)132(98-51-31-20-32-52-98)118-80-82-122(150-118)136(144(106)156-128)102-59-39-24-40-60-102/h17-62,71-88,145-146,151,154-156H,9-16,63-70H2,1-8H3/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：
LVHUAJHLURMRML-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/c2cccc(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)c2)/c(C)c3CCCC)C(=C1C)CCCC)/c1cccc(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)c1
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(3,1-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[3-(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[3-(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(3,1-phenylene)bisethylene]bis(5,10,15,20-tetraphenyl-21H,23H-porphyrin)
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