Chem
J-GLOBAL ID:200907070307583648
Nikkaji number:J1.519.003E
2,4,6-Tris[4-[3,4-bis(undecyloxy)phenylethynyl]phenyl]-1,3,5-triazine
トリス(4-{2-[3,4-ビス(ウンデシルオキシ)フェニル]エチニル}フェニル)-1,3,5-トリアジン
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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:
C111 H159 N3 O6
Molecular formula furigana:
C111-H159-N3-O6
Molecular weight:
1631.508
InChI:
InChI=1S/C111H159N3O6/c1-7-13-19-25-31-37-43-49-55-85-115-103-82-73-97(91-106(103)118-88-58-52-46-40-34-28-22-16-10-4)64-61-94-67-76-100(77-68-94)109-112-110(101-78-69-95(70-79-101)62-65-98-74-83-104(116-86-56-50-44-38-32-26-20-14-8-2)107(92-98)119-89-59-53-47-41-35-29-23-17-11-5)114-111(113-109)102-80-71-96(72-81-102)63-66-99-75-84-105(117-87-57-51-45-39-33-27-21-15-9-3)108(93-99)120-90-60-54-48-42-36-30-24-18-12-6/h67-84,91-93H,7-60,85-90H2,1-6H3
InChI key:
IDJHPJZHNMMWJH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCOc1ccc(cc1OCCCCCCCCCCC)C#Cc1ccc(cc1)c1nc(nc(n1)c1ccc(cc1)C#Cc1ccc(OCCCCCCCCCCC)c(OCCCCCCCCCCC)c1)c1ccc(cc1)C#Cc1ccc(OCCCCCCCCCCC)c(OCCCCCCCCCCC)c1
Systematic name (3):
2,4,6-トリス[4-[3,4-ビス(ウンデシルオキシ)フェニルエチニル]フェニル]-1,3,5-トリアジン
トリス(4-{2-[3,4-ビス(ウンデシルオキシ)フェニル]エチニル}フェニル)-1,3,5-トリアジン
tris(4-{2-[3,4-bis(undecyloxy)phenyl]ethynyl}phenyl)-1,3,5-triazine
Other name (1):
2,4,6-Tris[4-[3,4-bis(undecyloxy)phenylethynyl]phenyl]-1,3,5-triazine
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