Chem
J-GLOBAL ID：200907000718415993   Nikkaji number：J1.301.253I

3,3′-Dithiobis[N-[4-(10,15,20-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-5-yl)phenyl]propanamide]

3,3′-ジチオビス[N-[4-(10,15,20-トリス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン-5-イル)フェニル]プロパンアミド]
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： C142H164N10O2S2
Molecular formula furigana： C142-H164-N10-O2-S2
Molecular weight： 2107.060
InChI： InChI=1S/C142H164N10O2S2/c1-131(2,3)91-65-85(66-92(77-91)132(4,5)6)125-109-49-45-105(145-109)123(106-46-50-110(146-106)126(86-67-93(133(7,8)9)78-94(68-86)134(10,11)12)114-54-58-118(150-114)129(117-57-53-113(125)149-117)89-73-99(139(25,26)27)81-100(74-89)140(28,29)30)83-37-41-103(42-38-83)143-121(153)61-63-155-156-64-62-122(154)144-104-43-39-84(40-44-104)124-107-47-51-111(147-107)127(87-69-95(135(13,14)15)79-96(70-87)136(16,17)18)115-55-59-119(151-115)130(90-75-101(141(31,32)33)82-102(76-90)142(34,35)36)120-60-56-116(152-120)128(112-52-48-108(124)148-112)88-71-97(137(19,20)21)80-98(72-88)138(22,23)24/h37-60,65-82,145,147,150,152H,61-64H2,1-36H3,(H,143,153)(H,144,154)/b123-105-,123-106-,124-107-,124-108-,125-109-,125-113-,126-110-,126-114-,127-111-,127-115-,128-112-,128-116-,129-117-,129-118-,130-119-,130-120-
InChI key： RJWHOCAZPXUSHF-SENWQNMWSA-N
SMILES： CC(C)(C)c1cc(cc(c1)C(C)(C)C)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[nH]4)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/C=C3)\c1ccc(NC(=O)CCSSCCC(=O)Nc3ccc(cc3)/C/3=c/4\cc/c(=C(/C5=N/C(=C(\c6ccc(/C(=C\7/C=CC3=N7)/c3cc(cc(c3)C(C)(C)C)C(C)(C)C)[nH]6)/c3cc(cc(c3)C(C)(C)C)C(C)(C)C)/C=C5)\c3cc(cc(c3)C(C)(C)C)C(C)(C)C)/[nH]4)cc1)/[nH]2
Systematic name  (4)：
  • 20,20′-[ジチオビス[エチレンカルボニルイミノ(1,4-フェニレン)]]ビス[5,10,15-トリス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン]
  • 3,3′-ジチオビス[N-[4-(10,15,20-トリス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン-5-イル)フェニル]プロパンアミド]
  • N-{4-[7,12,17-トリス(3,5-ジ-tert-ブチルフェニル)-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(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]フェニル}-3-{[2-({4-[7,12,17-トリス(3,5-ジ-tert-ブチルフェニル)-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(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]フェニル}カルバモイル)エチル]ジスルファニル}プロパンアミド
  • N-{4-[7,12,17-tris(3,5-di-tert-butylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]phenyl}-3-{[2-({4-[7,12,17-tris(3,5-di-tert-butylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]phenyl}carbamoyl)ethyl]disulfanyl}propanamide
Other name (2)：
  • 20,20′-[Dithiobis[ethylenecarbonylimino(1,4-phenylene)]]bis[5,10,15-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin]
  • 3,3′-Dithiobis[N-[4-(10,15,20-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-5-yl)phenyl]propanamide]
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