11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

C160H102F136N6O8 — CID 138982824

IUPAC11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(Oc3cccc(N(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3)c3c4c(Oc5cccc(N(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c5)cc5c6c(cc(Oc7cccc(N(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c7)c(c7c(Oc8cccc(N(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c8)cc(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O
InChIInChI=1S/C160H102F136N6O8/c1-59(2)71-31-13-32-72(60(3)4)91(71)301-93(303)75-55-79(307-67-27-9-23-63(51-67)297(43-15-35-97(161,162)105(177,178)113(193,194)121(209,210)129(225,226)137(241,242)145(257,258)153(273,274)275)44-16-36-98(163,164)106(179,180)114(195,196)122(211,212)130(227,228)138(243,244)146(259,260)154(276,277)278)85-87-81(309-69-29-11-25-65(53-69)299(47-19-39-101(169,170)109(185,186)117(201,202)125(217,218)133(233,234)141(249,250)149(265,266)157(285,286)287)48-20-40-102(171,172)110(187,188)118(203,204)126(219,220)134(235,236)142(251,252)150(267,268)158(288,289)290)57-77-84-78(96(306)302(95(77)305)92-73(61(5)6)33-14-34-74(92)62(7)8)58-82(310-70-30-12-26-66(54-70)300(49-21-41-103(173,174)111(189,190)119(205,206)127(221,222)135(237,238)143(253,254)151(269,270)159(291,292)293)50-22-42-104(175,176)112(191,192)120(207,208)128(223,224)136(239,240)144(255,256)152(271,272)160(294,295)296)88(90(84)87)86-80(56-76(94(301)304)83(75)89(85)86)308-68-28-10-24-64(52-68)298(45-17-37-99(165,166)107(181,182)115(197,198)123(213,214)131(229,230)139(245,246)147(261,262)155(279,280)281)46-18-38-100(167,168)108(183,184)116(199,200)124(215,216)132(231,232)140(247,248)148(263,264)156(282,283)284/h9-14,23-34,51-62H,15-22,35-50H2,1-8H3
InChIKeyYAKLBJGSZULQSU-UHFFFAOYSA-N
MW4820.34 g/mol
LogP68.54
Rot. Bonds98

About 11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone (PubChem CID 138982824) has the molecular formula C160H102F136N6O8 and a molecular weight of 4820.34 g/mol. Its IUPAC name is 11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone.

Molecular Properties

Compound Name11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
PubChem CID138982824
Molecular FormulaC160H102F136N6O8
Molecular Weight4820.34 g/mol
Exact Mass4818.56
IUPAC Name11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(Oc3cccc(N(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3)c3c4c(Oc5cccc(N(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c5)cc5c6c(cc(Oc7cccc(N(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c7)c(c7c(Oc8cccc(N(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c8)cc(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O
InChIInChI=1S/C160H102F136N6O8/c1-59(2)71-31-13-32-72(60(3)4)91(71)301-93(303)75-55-79(307-67-27-9-23-63(51-67)297(43-15-35-97(161,162)105(177,178)113(193,194)121(209,210)129(225,226)137(241,242)145(257,258)153(273,274)275)44-16-36-98(163,164)106(179,180)114(195,196)122(211,212)130(227,228)138(243,244)146(259,260)154(276,277)278)85-87-81(309-69-29-11-25-65(53-69)299(47-19-39-101(169,170)109(185,186)117(201,202)125(217,218)133(233,234)141(249,250)149(265,266)157(285,286)287)48-20-40-102(171,172)110(187,188)118(203,204)126(219,220)134(235,236)142(251,252)150(267,268)158(288,289)290)57-77-84-78(96(306)302(95(77)305)92-73(61(5)6)33-14-34-74(92)62(7)8)58-82(310-70-30-12-26-66(54-70)300(49-21-41-103(173,174)111(189,190)119(205,206)127(221,222)135(237,238)143(253,254)151(269,270)159(291,292)293)50-22-42-104(175,176)112(191,192)120(207,208)128(223,224)136(239,240)144(255,256)152(271,272)160(294,295)296)88(90(84)87)86-80(56-76(94(301)304)83(75)89(85)86)308-68-28-10-24-64(52-68)298(45-17-37-99(165,166)107(181,182)115(197,198)123(213,214)131(229,230)139(245,246)147(261,262)155(279,280)281)46-18-38-100(167,168)108(183,184)116(199,200)124(215,216)132(231,232)140(247,248)148(263,264)156(282,283)284/h9-14,23-34,51-62H,15-22,35-50H2,1-8H3
InChIKeyYAKLBJGSZULQSU-UHFFFAOYSA-N
XLogP68.54
TPSA124.64 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds98
Heavy Atoms310
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004820.34
LogP ≤ 568.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?
The IUPAC name of 11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone (CID 138982824) is 11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone.
What is the SMILES notation for 11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?
The canonical SMILES for 11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone is CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(Oc3cccc(N(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3)c3c4c(Oc5cccc(N(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c5)cc5c6c(cc(Oc7cccc(N(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c7)c(c7c(Oc8cccc(N(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c8)cc(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O.
What is the InChIKey of 11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?
The InChIKey is YAKLBJGSZULQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C160H102F136N6O8/c1-59(2)71-31-13-32-72(60(3)4)91(71)301-93(303)75-55-79(307-67-27-9-23-63(51-67)297(43-15-35-97(161,162)105(177,178)113(193,194)121(209,210)129(225,226)137(241,242)145(257,258)153(273,274)275)44-16-36-98(163,164)106(179,180)114(195,196)122(211,212)130(227,228)138(243,244)146(259,260)154(276,277)278)85-87-81(309-69-29-11-25-65(53-69)299(47-19-39-101(169,170)109(185,186)117(201,202)125(217,218)133(233,234)141(249,250)149(265,266)157(285,286)287)48-20-40-102(171,172)110(187,188)118(203,204)126(219,220)134(235,236)142(251,252)150(267,268)158(288,289)290)57-77-84-78(96(306)302(95(77)305)92-73(61(5)6)33-14-34-74(92)62(7)8)58-82(310-70-30-12-26-66(54-70)300(49-21-41-103(173,174)111(189,190)119(205,206)127(221,222)135(237,238)143(253,254)151(269,270)159(291,292)293)50-22-42-104(175,176)112(191,192)120(207,208)128(223,224)136(239,240)144(255,256)152(271,272)160(294,295)296)88(90(84)87)86-80(56-76(94(301)304)83(75)89(85)86)308-68-28-10-24-64(52-68)298(45-17-37-99(165,166)107(181,182)115(197,198)123(213,214)131(229,230)139(245,246)147(261,262)155(279,280)281)46-18-38-100(167,168)108(183,184)116(199,200)124(215,216)132(231,232)140(247,248)148(263,264)156(282,283)284/h9-14,23-34,51-62H,15-22,35-50H2,1-8H3.
What are the key properties of 11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?
11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone has a molecular weight of 4820.34 g/mol, XLogP of 68.54, 98 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14,22,26-tetrakis[3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]phenoxy]-7,18-bis[2,6-di(propan-2-yl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 138982824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).