11,14,22,26-tetrakis[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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

C152H66F136N2O8 — CID 138982998

IUPAC11,14,22,26-tetrakis[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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(Oc3cc(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(/C=C/C(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(Oc5cc(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(/C=C/C(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(Oc7cc(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(/C=C/C(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(Oc8cc(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(/C=C/C(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/C152H66F136N2O8/c1-47(2)63-11-9-12-64(48(3)4)83(63)289-85(291)67-43-71(295-59-35-51(15-23-89(153,154)97(169,170)105(185,186)113(201,202)121(217,218)129(233,234)137(249,250)145(265,266)267)31-52(36-59)16-24-90(155,156)98(171,172)106(187,188)114(203,204)122(219,220)130(235,236)138(251,252)146(268,269)270)77-79-73(297-61-39-55(19-27-93(161,162)101(177,178)109(193,194)117(209,210)125(225,226)133(241,242)141(257,258)149(277,278)279)33-56(40-61)20-28-94(163,164)102(179,180)110(195,196)118(211,212)126(227,228)134(243,244)142(259,260)150(280,281)282)45-69-76-70(88(294)290(87(69)293)84-65(49(5)6)13-10-14-66(84)50(7)8)46-74(298-62-41-57(21-29-95(165,166)103(181,182)111(197,198)119(213,214)127(229,230)135(245,246)143(261,262)151(283,284)285)34-58(42-62)22-30-96(167,168)104(183,184)112(199,200)120(215,216)128(231,232)136(247,248)144(263,264)152(286,287)288)80(82(76)79)78-72(44-68(86(289)292)75(67)81(77)78)296-60-37-53(17-25-91(157,158)99(173,174)107(189,190)115(205,206)123(221,222)131(237,238)139(253,254)147(271,272)273)32-54(38-60)18-26-92(159,160)100(175,176)108(191,192)116(207,208)124(223,224)132(239,240)140(255,256)148(274,275)276/h9-50H,1-8H3/b23-15+,24-16+,25-17+,26-18+,27-19+,28-20+,29-21+,30-22+
InChIKeyBFLDCEJSZPWUOJ-SCSWMIQGSA-N
MW4631.93 g/mol
LogP67.18
Rot. Bonds78

About 11,14,22,26-tetrakis[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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 138982998) has the molecular formula C152H66F136N2O8 and a molecular weight of 4631.93 g/mol. Its IUPAC name is 11,14,22,26-tetrakis[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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 CID138982998
Molecular FormulaC152H66F136N2O8
Molecular Weight4631.93 g/mol
Exact Mass4630.26
IUPAC Name11,14,22,26-tetrakis[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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(Oc3cc(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(/C=C/C(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(Oc5cc(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(/C=C/C(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(Oc7cc(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(/C=C/C(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(Oc8cc(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(/C=C/C(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/C152H66F136N2O8/c1-47(2)63-11-9-12-64(48(3)4)83(63)289-85(291)67-43-71(295-59-35-51(15-23-89(153,154)97(169,170)105(185,186)113(201,202)121(217,218)129(233,234)137(249,250)145(265,266)267)31-52(36-59)16-24-90(155,156)98(171,172)106(187,188)114(203,204)122(219,220)130(235,236)138(251,252)146(268,269)270)77-79-73(297-61-39-55(19-27-93(161,162)101(177,178)109(193,194)117(209,210)125(225,226)133(241,242)141(257,258)149(277,278)279)33-56(40-61)20-28-94(163,164)102(179,180)110(195,196)118(211,212)126(227,228)134(243,244)142(259,260)150(280,281)282)45-69-76-70(88(294)290(87(69)293)84-65(49(5)6)13-10-14-66(84)50(7)8)46-74(298-62-41-57(21-29-95(165,166)103(181,182)111(197,198)119(213,214)127(229,230)135(245,246)143(261,262)151(283,284)285)34-58(42-62)22-30-96(167,168)104(183,184)112(199,200)120(215,216)128(231,232)136(247,248)144(263,264)152(286,287)288)80(82(76)79)78-72(44-68(86(289)292)75(67)81(77)78)296-60-37-53(17-25-91(157,158)99(173,174)107(189,190)115(205,206)123(221,222)131(237,238)139(253,254)147(271,272)273)32-54(38-60)18-26-92(159,160)100(175,176)108(191,192)116(207,208)124(223,224)132(239,240)140(255,256)148(274,275)276/h9-50H,1-8H3/b23-15+,24-16+,25-17+,26-18+,27-19+,28-20+,29-21+,30-22+
InChIKeyBFLDCEJSZPWUOJ-SCSWMIQGSA-N
XLogP67.18
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds78
Heavy Atoms298
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004631.93
LogP ≤ 567.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 11,14,22,26-tetrakis[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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 138982998) is 11,14,22,26-tetrakis[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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(Oc3cc(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(/C=C/C(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(Oc5cc(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(/C=C/C(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(Oc7cc(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(/C=C/C(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(Oc8cc(/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(/C=C/C(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[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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 BFLDCEJSZPWUOJ-SCSWMIQGSA-N. The full InChI is InChI=1S/C152H66F136N2O8/c1-47(2)63-11-9-12-64(48(3)4)83(63)289-85(291)67-43-71(295-59-35-51(15-23-89(153,154)97(169,170)105(185,186)113(201,202)121(217,218)129(233,234)137(249,250)145(265,266)267)31-52(36-59)16-24-90(155,156)98(171,172)106(187,188)114(203,204)122(219,220)130(235,236)138(251,252)146(268,269)270)77-79-73(297-61-39-55(19-27-93(161,162)101(177,178)109(193,194)117(209,210)125(225,226)133(241,242)141(257,258)149(277,278)279)33-56(40-61)20-28-94(163,164)102(179,180)110(195,196)118(211,212)126(227,228)134(243,244)142(259,260)150(280,281)282)45-69-76-70(88(294)290(87(69)293)84-65(49(5)6)13-10-14-66(84)50(7)8)46-74(298-62-41-57(21-29-95(165,166)103(181,182)111(197,198)119(213,214)127(229,230)135(245,246)143(261,262)151(283,284)285)34-58(42-62)22-30-96(167,168)104(183,184)112(199,200)120(215,216)128(231,232)136(247,248)144(263,264)152(286,287)288)80(82(76)79)78-72(44-68(86(289)292)75(67)81(77)78)296-60-37-53(17-25-91(157,158)99(173,174)107(189,190)115(205,206)123(221,222)131(237,238)139(253,254)147(271,272)273)32-54(38-60)18-26-92(159,160)100(175,176)108(191,192)116(207,208)124(223,224)132(239,240)140(255,256)148(274,275)276/h9-50H,1-8H3/b23-15+,24-16+,25-17+,26-18+,27-19+,28-20+,29-21+,30-22+.
What are the key properties of 11,14,22,26-tetrakis[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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 4631.93 g/mol, XLogP of 67.18, 78 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14,22,26-tetrakis[3,5-bis[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-enyl]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 138982998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).