Chem
J-GLOBAL ID：201607007071832260   Nikkaji number：J3.537.060I

1,5,9-Tris[3,4,5-tris(dodecyloxy)phenylethynyl]-12cH-4,8,12-trioxa-12c-phospha-4H,8H-dibenzo[cd,mn]pyrene

1,5,9-トリス[3,4,5-トリス(ドデシルオキシ)フェニルエチニル]-12cH-4,8,12-トリオキサ-12c-ホスファ-4H,8H-ジベンゾ[cd,mn]ピレン
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： C150H237O12P
Molecular formula furigana： C150-H237-O12-P
Molecular weight： 2263.508
InChI： InChI=1S/C150H237O12P/c1-10-19-28-37-46-55-64-73-82-91-112-151-136-121-127(122-137(152-113-92-83-74-65-56-47-38-29-20-11-2)145(136)157-118-97-88-79-70-61-52-43-34-25-16-7)100-103-130-106-109-133-148-142(130)160-134-110-107-131(104-101-128-123-138(153-114-93-84-75-66-57-48-39-30-21-12-3)146(158-119-98-89-80-71-62-53-44-35-26-17-8)139(124-128)154-115-94-85-76-67-58-49-40-31-22-13-4)143-149(134)163(148)150-135(162-143)111-108-132(144(150)161-133)105-102-129-125-140(155-116-95-86-77-68-59-50-41-32-23-14-5)147(159-120-99-90-81-72-63-54-45-36-27-18-9)141(126-129)156-117-96-87-78-69-60-51-42-33-24-15-6/h106-111,121-126H,10-99,112-120H2,1-9H3
InChI key： PQKWPMLFRWIDEP-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1cc(cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC)C#Cc1ccc2Oc3c(ccc4Oc5c(ccc6Oc1c2P(c56)c34)C#Cc1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c1)C#Cc1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c1
Systematic name  (4)：
  • 1,5,9-トリス[3,4,5-トリス(ドデシルオキシ)フェニルエチニル]-12cH-4,8,12-トリオキサ-12c-ホスファ-4H,8H-ジベンゾ[cd,mn]ピレン
  • 1,5,9-トリス[3,4,5-トリス(ドデシルオキシ)フェニルエチニル]-4,8,12-トリオキサ-12c-ホスファ-12,12c-ジヒドロ-4H,8H-ジベンゾ[cd,mn]ピレン
  • 4,10,16-トリス({2-[3,4,5-トリス(ドデシルオキシ)フェニル]エチニル})-8,14,22-トリオキサ-1-ホスファヘキサシクロ[11.7.1.13,19.02,7.09,21.015,20]ドコサ-2,4,6,9,11,13(21),15,17,19-ノナエン
  • 4,10,16-tris({2-[3,4,5-tris(dodecyloxy)phenyl]ethynyl})-8,14,22-trioxa-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
Other name (2)：
  • 1,5,9-Tris[3,4,5-tris(dodecyloxy)phenylethynyl]-12cH-4,8,12-trioxa-12c-phospha-4H,8H-dibenzo[cd,mn]pyrene
  • 1,5,9-Tris[3,4,5-tris(dodecyloxy)phenylethynyl]-4,8,12-trioxa-12c-phospha-12,12c-dihydro-4H,8H-dibenzo[cd,mn]pyrene
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