Chem
J-GLOBAL ID:201807016829257959
Nikkaji number:J3.726.386I
5,5′,5′′,15,15′,15′′-Hexakis[3,5-bis(3-methylbutoxy)phenyl]-10′′,20-bis[4-[3-(2-ethylhexyloxy)-3-oxopropylthio]phenyl]-10,20′:10′,20′′-ter(21H,23H-porphyrin)
5,5′,5′′,15,15′,15′′-ヘキサキス[3,5-ビス(3-メチルブトキシ)フェニル]-10′′,20-ビス[4-[3-(2-エチルヘキシルオキシ)-3-オキソプロピルチオ]フェニル]-10,20′:10′,20′′-テル(21H,23H-ポルフィリン)
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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:
C190 H230 N12 O16 S2
Molecular formula furigana:
C190-H230-N12-O16-S2
Molecular weight:
3002.120
InChI:
InChI=1S/C190H230N12O16S2/c1-29-33-35-129(31-3)115-217-177(203)81-95-219-151-41-37-131(38-42-151)179-153-45-49-157(191-153)181(133-97-139(205-83-69-117(5)6)109-140(98-133)206-84-70-118(7)8)161-53-61-169(195-161)187(170-62-54-162(196-170)182(158-50-46-154(179)192-158)134-99-141(207-85-71-119(9)10)110-142(100-134)208-86-72-120(11)12)189-173-65-57-165(199-173)185(137-105-147(213-91-77-125(21)22)113-148(106-137)214-92-78-126(23)24)167-59-67-175(201-167)190(176-68-60-168(202-176)186(166-58-66-174(189)200-166)138-107-149(215-93-79-127(25)26)114-150(108-138)216-94-80-128(27)28)188-171-63-55-163(197-171)183(135-101-143(209-87-73-121(13)14)111-144(102-135)210-88-74-122(15)16)159-51-47-155(193-159)180(132-39-43-152(44-40-132)220-96-82-178(204)218-116-130(32-4)36-34-30-2)156-48-52-160(194-156)184(164-56-64-172(188)198-164)136-103-145(211-89-75-123(17)18)112-146(104-136)212-90-76-124(19)20/h37-68,97-114,117-130,191,193,196,198-199,202H,29-36,69-96,115-116H2,1-28H3/b179-153-,179-154-,180-155-,180-156-,181-157-,181-161-,182-158-,182-162-,183-159-,183-163-,184-160-,184-164-,185-165-,185-167-,186-166-,186-168-,187-169+,187-170+,188-171+,188-172+,189-173+,189-174+,190-175+,190-176+
InChI key:
YCJHWUWCJSCDAY-NBHBLVSPSA-N
SMILES:
CCCCC(CC)COC(=O)CCSc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1cc(OCCC(C)C)cc(OCCC(C)C)c1)[nH]4)/C/1=c/4\cc/c(=C(/C5=N/C(=C(\c6ccc(/C(=C\7/C=CC1=N7)/c1cc(OCCC(C)C)cc(OCCC(C)C)c1)[nH]6)/C/1=c/6\cc/c(=C(/C7=N/C(=C(\c8ccc(/C(=C\9/C=CC1=N9)/c1cc(OCCC(C)C)cc(OCCC(C)C)c1)[nH]8)/c1ccc(SCCC(=O)OCC(CC)CCCC)cc1)/C=C7)\c1cc(OCCC(C)C)cc(OCCC(C)C)c1)/[nH]6)/C=C5)\c1cc(OCCC(C)C)cc(OCCC(C)C)c1)/[nH]4)/C=C3)\c1cc(OCCC(C)C)cc(OCCC(C)C)c1)/[nH]2
Systematic name (3):
5,5′,5′′,15,15′,15′′-ヘキサキス[3,5-ビス(3-メチルブトキシ)フェニル]-10′′,20-ビス[4-[3-(2-エチルヘキシルオキシ)-3-オキソプロピルチオ]フェニル]-10,20′:10′,20′′-テル(21H,23H-ポルフィリン)
2-エチルヘキシル 3-[(4-{7,17-ビス[3,5-ビス(3-メチルブトキシ)フェニル]-12-{7,17-ビス[3,5-ビス(3-メチルブトキシ)フェニル]-12-{7,17-ビス[3,5-ビス(3-メチルブトキシ)フェニル]-12-[4-({3-[(2-エチルヘキシル)オキシ]-3-オキソプロピル}スルファニル)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}-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}-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)スルファニル]プロパノアート
2-ethylhexyl 3-[(4-{7,17-bis[3,5-bis(3-methylbutoxy)phenyl]-12-{7,17-bis[3,5-bis(3-methylbutoxy)phenyl]-12-{7,17-bis[3,5-bis(3-methylbutoxy)phenyl]-12-[4-({3-[(2-ethylhexyl)oxy]-3-oxopropyl}sulfanyl)phenyl]-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}-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}-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)sulfanyl]propanoate
Other name (1):
5,5′,5′′,15,15′,15′′-Hexakis[3,5-bis(3-methylbutoxy)phenyl]-10′′,20-bis[4-[3-(2-ethylhexyloxy)-3-oxopropylthio]phenyl]-10,20′:10′,20′′-ter(21H,23H-porphyrin)
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