2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline

C124H42F120N8 — CID 56590073

IUPAC2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline
SMILESCc1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(CNc2c(F)c(F)c(-c3c4nc(c(-c5c(F)c(F)c(NCc6cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c6)c(F)c5F)c5ccc([nH]5)c(-c5c(F)c(F)c(NCc6cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c6)c(F)c5F)c5nc(c(-c6c(F)c(F)c(NCc7cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c7)c(F)c6F)c6ccc3[nH]6)C=C5)C=C4)c(F)c2F)cc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C124H42F120N8/c1-25-33(77(141,142)85(157,158)93(173,174)101(189,190)109(205,206)117(221,222)223)13-29(14-34(25)78(143,144)86(159,160)94(175,176)102(191,192)110(207,208)118(224,225)226)21-245-73-65(133)57(125)53(58(126)66(73)134)49-41-5-7-43(249-41)50(54-59(127)67(135)74(68(136)60(54)128)246-22-30-15-35(79(145,146)87(161,162)95(177,178)103(193,194)111(209,210)119(227,228)229)26(2)36(16-30)80(147,148)88(163,164)96(179,180)104(195,196)112(211,212)120(230,231)232)45-9-11-47(251-45)52(56-63(131)71(139)76(72(140)64(56)132)248-24-32-19-39(83(153,154)91(169,170)99(185,186)107(201,202)115(217,218)123(239,240)241)28(4)40(20-32)84(155,156)92(171,172)100(187,188)108(203,204)116(219,220)124(242,243)244)48-12-10-46(252-48)51(44-8-6-42(49)250-44)55-61(129)69(137)75(70(138)62(55)130)247-23-31-17-37(81(149,150)89(165,166)97(181,182)105(197,198)113(213,214)121(233,234)235)27(3)38(18-31)82(151,152)90(167,168)98(183,184)106(199,200)114(215,216)122(236,237)238/h5-20,245-249,252H,21-24H2,1-4H3/b49-41+,49-42+,50-43+,50-45+,51-44+,51-46+,52-47+,52-48+
InChIKeyQLBWSDGJUSMKQD-LSNULXRESA-N
MW3923.52 g/mol
LogP54.79
Rot. Bonds56

About 2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline

2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline (PubChem CID 56590073) has the molecular formula C124H42F120N8 and a molecular weight of 3923.52 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline
PubChem CID56590073
Molecular FormulaC124H42F120N8
Molecular Weight3923.52 g/mol
Exact Mass3922.16
IUPAC Name2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline
SMILESCc1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(CNc2c(F)c(F)c(-c3c4nc(c(-c5c(F)c(F)c(NCc6cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c6)c(F)c5F)c5ccc([nH]5)c(-c5c(F)c(F)c(NCc6cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c6)c(F)c5F)c5nc(c(-c6c(F)c(F)c(NCc7cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c7)c(F)c6F)c6ccc3[nH]6)C=C5)C=C4)c(F)c2F)cc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C124H42F120N8/c1-25-33(77(141,142)85(157,158)93(173,174)101(189,190)109(205,206)117(221,222)223)13-29(14-34(25)78(143,144)86(159,160)94(175,176)102(191,192)110(207,208)118(224,225)226)21-245-73-65(133)57(125)53(58(126)66(73)134)49-41-5-7-43(249-41)50(54-59(127)67(135)74(68(136)60(54)128)246-22-30-15-35(79(145,146)87(161,162)95(177,178)103(193,194)111(209,210)119(227,228)229)26(2)36(16-30)80(147,148)88(163,164)96(179,180)104(195,196)112(211,212)120(230,231)232)45-9-11-47(251-45)52(56-63(131)71(139)76(72(140)64(56)132)248-24-32-19-39(83(153,154)91(169,170)99(185,186)107(201,202)115(217,218)123(239,240)241)28(4)40(20-32)84(155,156)92(171,172)100(187,188)108(203,204)116(219,220)124(242,243)244)48-12-10-46(252-48)51(44-8-6-42(49)250-44)55-61(129)69(137)75(70(138)62(55)130)247-23-31-17-37(81(149,150)89(165,166)97(181,182)105(197,198)113(213,214)121(233,234)235)27(3)38(18-31)82(151,152)90(167,168)98(183,184)106(199,200)114(215,216)122(236,237)238/h5-20,245-249,252H,21-24H2,1-4H3/b49-41+,49-42+,50-43+,50-45+,51-44+,51-46+,52-47+,52-48+
InChIKeyQLBWSDGJUSMKQD-LSNULXRESA-N
XLogP54.79
TPSA105.48 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds56
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003923.52
LogP ≤ 554.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline with MolForge

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Related Compounds

5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin
CID 135401562
5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin
CID 70186
Ttmapp
CID 135433388
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,6-difluoro-phenyl)-porphyrin
CID 5250181
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,4-difluoro-phenyl)-porphyrin
CID 10327777
Trimethyl-[4-[10-[4-(trifluoromethyl)phenyl]-15,20-bis[4-(trimethylazaniumyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]azanium
CID 136242451
5,10,15,20-Tetrakis(4-aminophenyl)-21H,23H-porphine
CID 135411734
Tetraphenylporphyrin
CID 86280046
5,10,15,20-Tetrakis(p-tolyl)porphyrin
CID 135401992
Tetrakis(o-aminophenyl)porphyrin
CID 135431066
Tetrabenzoporphine
CID 135437216
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(3-fluoro-phenyl)-porphyrin
CID 14227551

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline (CID 56590073) is 2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline is Cc1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(CNc2c(F)c(F)c(-c3c4nc(c(-c5c(F)c(F)c(NCc6cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c6)c(F)c5F)c5ccc([nH]5)c(-c5c(F)c(F)c(NCc6cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c6)c(F)c5F)c5nc(c(-c6c(F)c(F)c(NCc7cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c7)c(F)c6F)c6ccc3[nH]6)C=C5)C=C4)c(F)c2F)cc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline?
The InChIKey is QLBWSDGJUSMKQD-LSNULXRESA-N. The full InChI is InChI=1S/C124H42F120N8/c1-25-33(77(141,142)85(157,158)93(173,174)101(189,190)109(205,206)117(221,222)223)13-29(14-34(25)78(143,144)86(159,160)94(175,176)102(191,192)110(207,208)118(224,225)226)21-245-73-65(133)57(125)53(58(126)66(73)134)49-41-5-7-43(249-41)50(54-59(127)67(135)74(68(136)60(54)128)246-22-30-15-35(79(145,146)87(161,162)95(177,178)103(193,194)111(209,210)119(227,228)229)26(2)36(16-30)80(147,148)88(163,164)96(179,180)104(195,196)112(211,212)120(230,231)232)45-9-11-47(251-45)52(56-63(131)71(139)76(72(140)64(56)132)248-24-32-19-39(83(153,154)91(169,170)99(185,186)107(201,202)115(217,218)123(239,240)241)28(4)40(20-32)84(155,156)92(171,172)100(187,188)108(203,204)116(219,220)124(242,243)244)48-12-10-46(252-48)51(44-8-6-42(49)250-44)55-61(129)69(137)75(70(138)62(55)130)247-23-31-17-37(81(149,150)89(165,166)97(181,182)105(197,198)113(213,214)121(233,234)235)27(3)38(18-31)82(151,152)90(167,168)98(183,184)106(199,200)114(215,216)122(236,237)238/h5-20,245-249,252H,21-24H2,1-4H3/b49-41+,49-42+,50-43+,50-45+,51-44+,51-46+,52-47+,52-48+.
What are the key properties of 2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline?
2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline has a molecular weight of 3923.52 g/mol, XLogP of 54.79, 56 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methyl]-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[[4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]methylamino]phenyl]-21,23-dihydroporphyrin-5-yl]aniline is sourced from PubChem (CID 56590073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).