Chem
J-GLOBAL ID：201607002029595206
Nikkaji number：J3.529.377I
5,15-Bis[4-(hexyloxy)phenyl]-10,20-bis[4-[3-[3,4,5-tris(dodecyloxy)benzoylamino]propoxy]phenyl]-21H,23H-porphyrin
5,15-ビス[4-(ヘキシルオキシ)フェニル]-10,20-ビス[4-[3-[3,4,5-トリス(ドデシルオキシ)ベンゾイルアミノ]プロポキシ]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： C148H220N6O12
Molecular formula furigana： C148-H220-N6-O12
Molecular weight： 2275.418
InChI：
InChI=1S/C148H220N6O12/c1-9-17-25-33-39-45-51-57-63-71-107-161-137-115-123(116-138(162-108-72-64-58-52-46-40-34-26-18-10-2)145(137)165-111-75-67-61-55-49-43-37-29-21-13-5)147(155)149-103-77-113-159-127-91-83-121(84-92-127)143-133-99-95-129(151-133)141(119-79-87-125(88-80-119)157-105-69-31-23-15-7)131-97-101-135(153-131)144(136-102-98-132(154-136)142(130-96-100-134(143)152-130)120-81-89-126(90-82-120)158-106-70-32-24-16-8)122-85-93-128(94-86-122)160-114-78-104-150-148(156)124-117-139(163-109-73-65-59-53-47-41-35-27-19-11-3)146(166-112-76-68-62-56-50-44-38-30-22-14-6)140(118-124)164-110-74-66-60-54-48-42-36-28-20-12-4/h79-102,115-118,151,154H,9-78,103-114H2,1-8H3,(H,149,155)(H,150,156)/b141-129-,141-131-,142-130-,142-132-,143-133-,143-134-,144-135-,144-136-
InChI key：
XJRKQSLAFVKRRD-HEYRBAHSSA-N
SMILES：
CCCCCCCCCCCCOc1cc(cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC)C(=O)NCCCOc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(OCCCCCC)cc1)[nH]4)/c1ccc(OCCCNC(=O)c4cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c4)cc1)/C=C3)\c1ccc(OCCCCCC)cc1)/[nH]2
Systematic name (1)：
- 5,15-ビス[4-(ヘキシルオキシ)フェニル]-10,20-ビス[4-[3-[3,4,5-トリス(ドデシルオキシ)ベンゾイルアミノ]プロポキシ]フェニル]-21H,23H-ポルフィリン
- 5,15-Bis[4-(hexyloxy)phenyl]-10,20-bis[4-[3-[3,4,5-tris(dodecyloxy)benzoylamino]propoxy]phenyl]-21H,23H-porphyrin
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