Chem
J-GLOBAL ID：200907050520178861
Nikkaji number：J2.170.272B
22,23:72,73:122,123:172,173-Tetrakis[[4′,5′-bis(dodecylthio)-Δ2,2′-bi[1,3-dithiol]-4,5-diyl]bis(thioethyleneoxyethyleneoxy)]phthalocyanine
22,23:72,73:122,123:172,173-テトラキス[[4′,5′-ビス(ドデシルチオ)-Δ2,2′-ビ[1,3-ジチオール]-4,5-ジイル]ビス(チオエチレンオキシエチレンオキシ)]フタロシアニン
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： C184H274N8O16S32
Molecular formula furigana： C184-H274-N8-O16-S32
Molecular weight： 3880.180
InChI：
InChI=1S/C184H274N8O16S32/c1-9-17-25-33-41-49-57-65-73-81-113-209-161-162(210-114-82-74-66-58-50-42-34-26-18-10-2)226-177(225-161)181-233-169-170(234-181)218-122-106-194-90-98-202-146-130-138-137(129-145(146)201-97-89-193-105-121-217-169)153-185-154(138)190-156-140-132-148-150(206-102-94-198-110-126-222-174-172(220-124-108-196-92-100-204-148)236-183(238-174)179-229-165(213-117-85-77-69-61-53-45-37-29-21-13-5)166(230-179)214-118-86-78-70-62-54-46-38-30-22-14-6)134-142(140)158(187-156)192-160-144-136-152-151(207-103-95-199-111-127-223-175-176(224-128-112-200-96-104-208-152)240-184(239-175)180-231-167(215-119-87-79-71-63-55-47-39-31-23-15-7)168(232-180)216-120-88-80-72-64-56-48-40-32-24-16-8)135-143(144)159(188-160)191-157-141-133-149-147(131-139(141)155(186-157)189-153)203-99-91-195-107-123-219-171-173(221-125-109-197-93-101-205-149)237-182(235-171)178-227-163(211-115-83-75-67-59-51-43-35-27-19-11-3)164(228-178)212-116-84-76-68-60-52-44-36-28-20-12-4/h129-136H,9-128H2,1-8H3,(H2,185,186,187,188,189,190,191,192)
InChI key：
ZXVYQXDGWBHMOQ-UHFFFAOYSA-N
SMILES：
CCCCCCCCCCCCSC1=C(SCCCCCCCCCCCC)S/C(=C/2\SC3=C(S2)SCCOCCOc2cc4/C/5=N/c6[nH]c(/N=C/7\N=C(/N=c/8\[nH]/c(=N\C(=N5)c4cc2OCCOCCS3)/c2c8cc3OCCOCCSC4=C(S/C(=C/5\SC(=C(SCCCCCCCCCCCC)S5)SCCCCCCCCCCCC)/S4)SCCOCCOc3c2)c2c7cc3OCCOCCSC4=C(S/C(=C/5\SC(=C(SCCCCCCCCCCCC)S5)SCCCCCCCCCCCC)/S4)SCCOCCOc3c2)c2c6cc3OCCOCCSC4=C(S/C(=C/5\SC(=C(SCCCCCCCCCCCC)S5)SCCCCCCCCCCCC)/S4)SCCOCCOc3c2)/S1
Systematic name (3)：
- 22,23:72,73:122,123:172,173-テトラキス[[4′,5′-ビス(ドデシルチオ)-Δ2,2′-ビ[1,3-ジチオール]-4,5-ジイル]ビス(チオエチレンオキシエチレンオキシ)]フタロシアニン
- 16,44,72,100-テトラキス[4,5-ビス(ドデシルスルファニル)-2H-1,3-ジチオール-2-イリデン]-7,10,22,25,35,38,50,53,63,66,78,81,91,94,106,109-ヘキサデカオキサ-13,15,17,19,41,43,45,47,69,71,73,75,97,99,101,103-ヘキサデカチア-2,30,58,86,113,114,115,116-オクタアザヘプタデカシクロ[85.25.1.13,29.131,57.159,85.04,28.06,26.014,18.032,56.034,54.042,46.060,84.062,82.070,74.088,112.090,110.098,102]116nea-1,3,5,14(18),26,28,30,32,34(54),42(46),55,57(115),58,60,62(82),70(74),83,85,87(113),88,90(110),98(102),111-トリコサエン
- 16,44,72,100-tetrakis[4,5-bis(dodecylsulfanyl)-2H-1,3-dithiol-2-ylidene]-7,10,22,25,35,38,50,53,63,66,78,81,91,94,106,109-hexadecaoxa-13,15,17,19,41,43,45,47,69,71,73,75,97,99,101,103-hexadecathia-2,30,58,86,113,114,115,116-octaazaheptadecacyclo[85.25.1.13,29.131,57.159,85.04,28.06,26.014,18.032,56.034,54.042,46.060,84.062,82.070,74.088,112.090,110.098,102]116nea-1,3,5,14(18),26,28,30,32,34(54),42(46),55,57(115),58,60,62(82),70(74),83,85,87(113),88,90(110),98(102),111-tricosaene
- 22,23:72,73:122,123:172,173-Tetrakis[[4′,5′-bis(dodecylthio)-Δ2,2′-bi[1,3-dithiol]-4,5-diyl]bis(thioethyleneoxyethyleneoxy)]phthalocyanine
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