Chem
J-GLOBAL ID:200907017517935859   Nikkaji number:J1.776.604J

5,10,15,20-Tetrakis[2-[11-[[2-(acryloylamino)ethyl]carbamoyl]undecyloxy]phenyl]-21H,23H-porphyrin

5,10,15,20-テトラキス[2-[11-[[2-(アクリロイルアミノ)エチル]カルバモイル]ウンデシルオキシ]フェニル]-21H,23H-ポルフィリン
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: C112H150N12O12
Molecular formula furigana: C112-H150-N12-O12
Molecular weight: 1856.504
InChI: InChI=1S/C112H150N12O12/c1-5-101(125)113-73-77-117-105(129)61-37-29-21-13-9-17-25-33-49-81-133-97-57-45-41-53-85(97)109-89-65-67-91(121-89)110(86-54-42-46-58-98(86)134-82-50-34-26-18-10-14-22-30-38-62-106(130)118-78-74-114-102(126)6-2)93-69-71-95(123-93)112(88-56-44-48-60-100(88)136-84-52-36-28-20-12-16-24-32-40-64-108(132)120-80-76-116-104(128)8-4)96-72-70-94(124-96)111(92-68-66-90(109)122-92)87-55-43-47-59-99(87)135-83-51-35-27-19-11-15-23-31-39-63-107(131)119-79-75-115-103(127)7-3/h5-8,41-48,53-60,65-72,121,124H,1-4,9-40,49-52,61-64,73-84H2,(H,113,125)(H,114,126)(H,115,127)(H,116,128)(H,117,129)(H,118,130)(H,119,131)(H,120,132)/b109-89-,109-90-,110-91-,110-93-,111-92-,111-94-,112-95-,112-96-
InChI key: CEDPCOYCDJHCBZ-BTSIDOBJSA-N
SMILES: C=CC(=O)NCCNC(=O)CCCCCCCCCCCOc1ccccc1/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccccc1OCCCCCCCCCCCC(=O)NCCNC(=O)C=C)[nH]4)/c1ccccc1OCCCCCCCCCCCC(=O)NCCNC(=O)C=C)/C=C3)\c1ccccc1OCCCCCCCCCCCC(=O)NCCNC(=O)C=C)/[nH]2
Systematic name  (3):
  • 5,10,15,20-テトラキス[2-[11-[[2-(アクリロイルアミノ)エチル]カルバモイル]ウンデシルオキシ]フェニル]-21H,23H-ポルフィリン
  • N-[2-(プロパ-2-エンアミド)エチル]-12-{2-[7,12,17-トリス({2-[(11-{[2-(プロパ-2-エンアミド)エチル]カルバモイル}ウンデシル)オキシ]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]フェノキシ}ドデカンアミド
  • N-[2-(prop-2-enamido)ethyl]-12-{2-[7,12,17-tris({2-[(11-{[2-(prop-2-enamido)ethyl]carbamoyl}undecyl)oxy]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]phenoxy}dodecanamide
Other name (1):
  • 5,10,15,20-Tetrakis[2-[11-[[2-(acryloylamino)ethyl]carbamoyl]undecyloxy]phenyl]-21H,23H-porphyrin
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