cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol

C98H84CsO14+ — CID 71610242

IUPACcesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
SMILESOc1c2cc(OCc3ccccc3)cc1Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)C2.[Cs+]
InChIInChI=1S/C98H84O14.Cs/c99-92-71-36-73-45-86(107-58-65-24-10-2-11-25-65)47-75(93(73)100)38-77-49-88(109-60-67-28-14-4-15-29-67)51-79(95(77)102)40-81-53-90(111-62-69-32-18-6-19-33-69)55-83(97(81)104)42-84-56-91(112-63-70-34-20-7-21-35-70)54-82(98(84)105)41-80-52-89(110-61-68-30-16-5-17-31-68)50-78(96(80)103)39-76-48-87(108-59-66-26-12-3-13-27-66)46-74(94(76)101)37-72(92)44-85(43-71)106-57-64-22-8-1-9-23-64;/h1-35,43-56,99-105H,36-42,57-63H2;/q;+1
InChIKeyNPGSFWBTXBQWNM-UHFFFAOYSA-N
MW1618.64 g/mol
LogP17.13
Rot. Bonds21

About cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol

cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol (PubChem CID 71610242) has the molecular formula C98H84CsO14+ and a molecular weight of 1618.64 g/mol. Its IUPAC name is cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol.

Molecular Properties

Compound Namecesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
PubChem CID71610242
Molecular FormulaC98H84CsO14+
Molecular Weight1618.64 g/mol
Exact Mass1617.49
IUPAC Namecesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
SMILESOc1c2cc(OCc3ccccc3)cc1Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)C2.[Cs+]
InChIInChI=1S/C98H84O14.Cs/c99-92-71-36-73-45-86(107-58-65-24-10-2-11-25-65)47-75(93(73)100)38-77-49-88(109-60-67-28-14-4-15-29-67)51-79(95(77)102)40-81-53-90(111-62-69-32-18-6-19-33-69)55-83(97(81)104)42-84-56-91(112-63-70-34-20-7-21-35-70)54-82(98(84)105)41-80-52-89(110-61-68-30-16-5-17-31-68)50-78(96(80)103)39-76-48-87(108-59-66-26-12-3-13-27-66)46-74(94(76)101)37-72(92)44-85(43-71)106-57-64-22-8-1-9-23-64;/h1-35,43-56,99-105H,36-42,57-63H2;/q;+1
InChIKeyNPGSFWBTXBQWNM-UHFFFAOYSA-N
XLogP17.13
TPSA206.22 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001618.64
LogP ≤ 517.13
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol with MolForge

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Related Compounds

5,11,17,23-tetrakis(phenoxymethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 10463259
5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 134964342
5,11,17,23-tetratert-butyl-27,28-bis(phenylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,26-diol
CID 11388780
5,11,17,23,29,35,41,47-octakis(phenylmethoxy)-49,50,51,52,53,54,55,56-octakis(prop-2-ynoxy)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene
CID 171366235
5,12,19-tris[[3,5-bis(phenylmethoxy)phenyl]methoxy]-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 100981956
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
11,23-diamino-5,17-ditert-butyl-26,28-bis(phenylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
CID 101407138
4-phenylmethoxy-2,6-bis(pyrrolidin-1-ylmethyl)phenol
CID 13417334
5,13,19,27-tetratert-butyl-30,32-bis(phenylmethoxy)pentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene-29,31-diol
CID 10771984
5,13,19,27-tetratert-butyl-31,32-bis(phenylmethoxy)pentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene-29,30-diol
CID 10605702
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707

Frequently Asked Questions

What is the IUPAC name of cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol?
The IUPAC name of cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol (CID 71610242) is cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol.
What is the SMILES notation for cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol?
The canonical SMILES for cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol is Oc1c2cc(OCc3ccccc3)cc1Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)Cc1cc(OCc3ccccc3)cc(c1O)C2.[Cs+].
What is the InChIKey of cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol?
The InChIKey is NPGSFWBTXBQWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H84O14.Cs/c99-92-71-36-73-45-86(107-58-65-24-10-2-11-25-65)47-75(93(73)100)38-77-49-88(109-60-67-28-14-4-15-29-67)51-79(95(77)102)40-81-53-90(111-62-69-32-18-6-19-33-69)55-83(97(81)104)42-84-56-91(112-63-70-34-20-7-21-35-70)54-82(98(84)105)41-80-52-89(110-61-68-30-16-5-17-31-68)50-78(96(80)103)39-76-48-87(108-59-66-26-12-3-13-27-66)46-74(94(76)101)37-72(92)44-85(43-71)106-57-64-22-8-1-9-23-64;/h1-35,43-56,99-105H,36-42,57-63H2;/q;+1.
What are the key properties of cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol?
cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol has a molecular weight of 1618.64 g/mol, XLogP of 17.13, 21 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol is sourced from PubChem (CID 71610242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).