Chem
J-GLOBAL ID：201207099883692529   Nikkaji number：J3.000.313F

5,10,15,20-Tetrakis(pentafluorophenyl)-17,24-[1,6,11-tris(pentafluorophenyl)-2,5:12,15-diepimino-10,7-epinitrilo-1,3,5,8,10,12,14-pentadecaheptaene-1,15-diyl]-18-aza-24-carba-21H,24H-porphyrin

5,10,15,20-テトラキス(ペンタフルオロフェニル)-17,24-[1,6,11-トリス(ペンタフルオロフェニル)-2,5:12,15-ジエピミノ-10,7-エピニトリロ-1,3,5,8,10,12,14-ペンタデカヘプタエン-1,15-ジイル]-18-アザ-24-カルバ-21H,24H-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： C77H16F35N7
Molecular formula furigana： C77-H16-F35-N7
Molecular weight： 1703.968
InChI： InChI=1S/C77H16F35N7/c78-41-34(42(79)56(93)69(106)55(41)92)25-13-1-2-15(113-13)27(36-45(82)59(96)71(108)60(97)46(36)83)19-7-11-23(117-19)31(39-51(88)65(102)74(111)66(103)52(39)89)76-30-22-10-6-18(116-22)26(35-43(80)57(94)70(107)58(95)44(35)81)14-3-4-16(114-14)28(37-47(84)61(98)72(109)62(99)48(37)85)20-8-12-24(118-20)32(40-53(90)67(104)75(112)68(105)54(40)91)77(119-76)33(30)29(21-9-5-17(25)115-21)38-49(86)63(100)73(110)64(101)50(38)87/h1-12,30,116-118H/b25-13?,25-17?,26-14?,27-15?,27-19?,28-20?,29-21?,31-23-,32-24?,33-29?,76-31?
InChI key： MMSBEDKDOLXWCK-NDVUWVJRSA-N
SMILES： Fc1c(F)c(F)c(c(F)c1F)C1=C2C=CC(=N2)C(=C2C3C(=C(c4ccc([nH]4)C(=C4C=CC1=N4)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)N=C2C(=c1ccc(=C(C2=NC(=C(c4ccc3[nH]4)c3c(F)c(F)c(F)c(F)c3F)C=C2)c2c(F)c(F)c(F)c(F)c2F)[nH]1)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Systematic name  (3)：
  • 5,10,15,20-テトラキス(ペンタフルオロフェニル)-17,24-[1,6,11-トリス(ペンタフルオロフェニル)-2,5:12,15-ジエピミノ-10,7-エピニトリロ-1,3,5,8,10,12,14-ペンタデカヘプタエン-1,15-ジイル]-18-アザ-24-カルバ-21H,24H-ポルフィリン
  • 4,9,14,19,23,28,33-ヘプタキス(2,3,4,5,6-ペンタフルオロフェニル)-21,37,38,39,40,41,42-ヘプタアザノナシクロ[32.2.1.15,8.110,13.115,18.124,27.129,32.02,20.03,22]ドテトラコンタ-1(36),3,5(42),6,8,10(41),11,13,15,17,19,21,23,25,27,29(38),30,32,34-ノナデカエン
  • 4,9,14,19,23,28,33-heptakis(2,3,4,5,6-pentafluorophenyl)-21,37,38,39,40,41,42-heptaazanonacyclo[32.2.1.15,8.110,13.115,18.124,27.129,32.02,20.03,22]dotetraconta-1(36),3,5(42),6,8,10(41),11,13,15,17,19,21,23,25,27,29(38),30,32,34-nonadecaene
Other name (1)：
  • 5,10,15,20-Tetrakis(pentafluorophenyl)-17,24-[1,6,11-tris(pentafluorophenyl)-2,5:12,15-diepimino-10,7-epinitrilo-1,3,5,8,10,12,14-pentadecaheptaene-1,15-diyl]-18-aza-24-carba-21H,24H-porphyrin
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