物質
J-GLOBAL ID:201207048274030214
日化辞番号:J3.067.799D
5,10,15,20-テトラキス[4-[[3-(ペンタデカフルオロオクタノイル)プロピル]アミノ]-2,3,5,6-テトラフルオロフェニル]-21H,23H-ポルフィリン
5,10,15,20-Tetrakis[4-[[3-(pentadecafluorooctanoyl)propyl]amino]-2,3,5,6-tetrafluorophenyl]-21H,23H-porphyrin
物質タイプ:
物質タイプ
物質タイプは以下の3種類に大別されています。
構造情報あり:構造が明確な物質
構造不確定等:構造が不明または未定の物質
混合物等:混合物、ラセミ化合物や、相対立体配置をもつ化合物等
構造情報あり
分子式:
C88H38F76N8O4
分子式フリガナ:
C88-H38-F76-N8-O4
分子量:
2715.203
InChI:
InChI=1S/C88H38F76N8O4/c89-41-37(42(90)50(98)57(49(41)97)165-17-1-5-29(173)61(105,106)65(113,114)69(121,122)73(129,130)77(137,138)81(145,146)85(153,154)155)33-21-9-11-23(169-21)34(38-43(91)51(99)58(52(100)44(38)92)166-18-2-6-30(174)62(107,108)66(115,116)70(123,124)74(131,132)78(139,140)82(147,148)86(156,157)158)25-13-15-27(171-25)36(40-47(95)55(103)60(56(104)48(40)96)168-20-4-8-32(176)64(111,112)68(119,120)72(127,128)76(135,136)80(143,144)84(151,152)88(162,163)164)28-16-14-26(172-28)35(24-12-10-22(33)170-24)39-45(93)53(101)59(54(102)46(39)94)167-19-3-7-31(175)63(109,110)67(117,118)71(125,126)75(133,134)79(141,142)83(149,150)87(159,160)161/h9-16,165-169,172H,1-8,17-20H2/b33-21+,33-22+,34-23+,34-25+,35-24+,35-26+,36-27+,36-28+
InChI key:
FLKJJFFCFBUNAG-DVBRDLRJSA-N
SMILES:
Fc1c(F)c(c(F)c(F)c1NCCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1c(F)c(F)c(NCCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1F)[nH]4)/c1c(F)c(F)c(NCCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1F)/C=C3)\c1c(F)c(F)c(NCCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1F)/[nH]2
体系名 (3件):
- 5,10,15,20-テトラキス[4-[[3-(ペンタデカフルオロオクタノイル)プロピル]アミノ]-2,3,5,6-テトラフルオロフェニル]-21H,23H-ポルフィリン
- 5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-ペンタデカフルオロ-1-({2,3,5,6-テトラフルオロ-4-[7,12,17-トリス({2,3,5,6-テトラフルオロ-4-[(5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-ペンタデカフルオロ-4-オキソウンデシル)アミノ]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]フェニル}アミノ)ウンデカン-4-オン
- 5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-({2,3,5,6-tetrafluoro-4-[7,12,17-tris({2,3,5,6-tetrafluoro-4-[(5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-4-oxoundecyl)amino]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]phenyl}amino)undecan-4-one
その他の名称 (1件):
- 5,10,15,20-Tetrakis[4-[[3-(pentadecafluorooctanoyl)propyl]amino]-2,3,5,6-tetrafluorophenyl]-21H,23H-porphyrin
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