Chem
J-GLOBAL ID：200907050316185697   Nikkaji number：J2.202.670D

5,10,15,20-Tetrakis[4-[4-[4-(diphenylamino)styryl]-2,1,3-benzothiadiazole-7-yl]phenyl]-21H,23H-porphyrin

5,10,15,20-テトラキス[4-[4-[4-(ジフェニルアミノ)スチリル]-2,1,3-ベンゾチアジアゾール-7-イル]フェニル]-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： C148H98N16S4
Molecular formula furigana： C148-H98-N16-S4
Molecular weight： 2228.760
InChI： InChI=1S/C148H98N16S4/c1-9-25-113(26-10-1)161(114-27-11-2-12-28-114)121-77-45-97(46-78-121)41-53-109-73-85-125(145-141(109)153-165-157-145)101-57-65-105(66-58-101)137-129-89-91-131(149-129)138(106-67-59-102(60-68-106)126-86-74-110(142-146(126)158-166-154-142)54-42-98-47-79-122(80-48-98)162(115-29-13-3-14-30-115)116-31-15-4-16-32-116)133-93-95-135(151-133)140(108-71-63-104(64-72-108)128-88-76-112(144-148(128)160-168-156-144)56-44-100-51-83-124(84-52-100)164(119-37-21-7-22-38-119)120-39-23-8-24-40-120)136-96-94-134(152-136)139(132-92-90-130(137)150-132)107-69-61-103(62-70-107)127-87-75-111(143-147(127)159-167-155-143)55-43-99-49-81-123(82-50-99)163(117-33-17-5-18-34-117)118-35-19-6-20-36-118/h1-96,149,152H/b53-41?,54-42?,55-43?,56-44?,137-129-,137-130-,138-131-,138-133-,139-132-,139-134-,140-135-,140-136-
InChI key： XCKQCXOCWKRJCD-TYVWPMMRSA-N
SMILES： C(=Cc1ccc(c2ccc(cc2)/C/2=c/3\cc/c(=C(/C4=N/C(=C(\c5ccc(/C(=C\6/C=CC2=N6)/c2ccc(cc2)c2ccc(C=Cc6ccc(cc6)N(c6ccccc6)c6ccccc6)c6nsnc26)[nH]5)/c2ccc(cc2)c2ccc(C=Cc5ccc(cc5)N(c5ccccc5)c5ccccc5)c5nsnc25)/C=C4)\c2ccc(cc2)c2ccc(C=Cc4ccc(cc4)N(c4ccccc4)c4ccccc4)c4nsnc24)/[nH]3)c2nsnc12)c1ccc(cc1)N(c1ccccc1)c1ccccc1
Systematic name  (4)：
  • 5,10,15,20-テトラキス[4-[7-[4-(ジフェニルアミノ)スチリル]-2,1,3-ベンゾチアジアゾール-4-イル]フェニル]-21H,23H-ポルフィリン
  • 5,10,15,20-テトラキス[4-[4-[4-(ジフェニルアミノ)スチリル]-2,1,3-ベンゾチアジアゾール-7-イル]フェニル]-21H,23H-ポルフィリン
  • N,N-ジフェニル-4-{2-[7-(4-{7,12,17-トリス[4-(7-{2-[4-(ジフェニルアミノ)フェニル]エテニル}-2,1,3-ベンゾチアジアゾール-4-イル)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-2-イル}フェニル)-2,1,3-ベンゾチアジアゾール-4-イル]エテニル}アニリン
  • N,N-diphenyl-4-{2-[7-(4-{7,12,17-tris[4-(7-{2-[4-(diphenylamino)phenyl]ethenyl}-2,1,3-benzothiadiazol-4-yl)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-undecaen-2-yl}phenyl)-2,1,3-benzothiadiazol-4-yl]ethenyl}aniline
Other name (2)：
  • 5,10,15,20-Tetrakis[4-[7-[4-(diphenylamino)styryl]-2,1,3-benzothiadiazole-4-yl]phenyl]-21H,23H-porphyrin
  • 5,10,15,20-Tetrakis[4-[4-[4-(diphenylamino)styryl]-2,1,3-benzothiadiazole-7-yl]phenyl]-21H,23H-porphyrin
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