33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene

C89H70N8O14 — CID 135080725

IUPAC33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene
SMILESCOc1ccc(Oc2cc3c(cc2Oc2ccc(OC)cc2)-c2nc-3nc3[nH]c(nc4nc(nc5[nH]c(n2)c2cc(Oc6ccc(OC)cc6)c(Oc6ccc(OC)cc6)cc52)-c2cc(OCc5ccc(OCC6CC7C=CC6C7)cc5)ccc2-4)c2cc(Oc4ccc(OC)cc4)c(Oc4ccc(OC)cc4)cc32)cc1
InChIInChI=1S/C89H70N8O14/c1-98-54-13-25-61(26-14-54)106-76-42-70-71(43-77(76)107-62-27-15-55(99-2)16-28-62)86-93-84(70)91-82-68-38-37-67(104-48-50-8-11-60(12-9-50)105-49-53-40-51-7-10-52(53)39-51)41-69(68)83(90-82)92-85-72-44-78(108-63-29-17-56(100-3)18-30-63)79(109-64-31-19-57(101-4)20-32-64)45-73(72)87(94-85)96-89-75-47-81(111-66-35-23-59(103-6)24-36-66)80(46-74(75)88(95-86)97-89)110-65-33-21-58(102-5)22-34-65/h7-38,41-47,51-53H,39-40,48-49H2,1-6H3,(H2,90,91,92,93,94,95,96,97)
InChIKeyFHWLIHGWQLHUTA-UHFFFAOYSA-N
MW1475.58 g/mol
LogP20.84
Rot. Bonds24

About 33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene

33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene (PubChem CID 135080725) has the molecular formula C89H70N8O14 and a molecular weight of 1475.58 g/mol. Its IUPAC name is 33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene.

Molecular Properties

Compound Name33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene
PubChem CID135080725
Molecular FormulaC89H70N8O14
Molecular Weight1475.58 g/mol
Exact Mass1474.50
IUPAC Name33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene
SMILESCOc1ccc(Oc2cc3c(cc2Oc2ccc(OC)cc2)-c2nc-3nc3[nH]c(nc4nc(nc5[nH]c(n2)c2cc(Oc6ccc(OC)cc6)c(Oc6ccc(OC)cc6)cc52)-c2cc(OCc5ccc(OCC6CC7C=CC6C7)cc5)ccc2-4)c2cc(Oc4ccc(OC)cc4)c(Oc4ccc(OC)cc4)cc32)cc1
InChIInChI=1S/C89H70N8O14/c1-98-54-13-25-61(26-14-54)106-76-42-70-71(43-77(76)107-62-27-15-55(99-2)16-28-62)86-93-84(70)91-82-68-38-37-67(104-48-50-8-11-60(12-9-50)105-49-53-40-51-7-10-52(53)39-51)41-69(68)83(90-82)92-85-72-44-78(108-63-29-17-56(100-3)18-30-63)79(109-64-31-19-57(101-4)20-32-64)45-73(72)87(94-85)96-89-75-47-81(111-66-35-23-59(103-6)24-36-66)80(46-74(75)88(95-86)97-89)110-65-33-21-58(102-5)22-34-65/h7-38,41-47,51-53H,39-40,48-49H2,1-6H3,(H2,90,91,92,93,94,95,96,97)
InChIKeyFHWLIHGWQLHUTA-UHFFFAOYSA-N
XLogP20.84
TPSA238.14 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001475.58
LogP ≤ 520.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene with MolForge

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Related Compounds

6,15,24,33-tetrakis(4-phenylmethoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 177388979
2-[4-[[7,15,16,24,25,33,34-heptakis[4-(2-hydroxyethyl)phenoxy]-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-yl]oxy]phenyl]ethanol
CID 177477655
6,7,15,16,24,25,33,34-octakis(2-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
CID 177405011
10,19,29,44,53,61-hexakis(2,2-dimethylpropoxy)-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(66),2,4,6,8(13),9,11,14(74),15,17(22),18,20,23,25(72),26(31),27,29,32,34,36,38,40(70),41(46),42,44,47,49,51,53,55,57,59(64),60,62,65(68)-pentatriacontaene
CID 134915569
6,15,24,33-tetrahexoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 177469688
6,15,24,33-tetraoctoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 135476656
6,7,15,16,24,25-hexadodecoxy-33-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene
CID 135848291
6,15,24,33-tetrakis[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 135526934
2-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]-5-[4-[5-(4-prop-1-en-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 88984277
2-ethoxy-4-methoxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]benzene
CID 170021293
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dimethoxyaniline
CID 43758056
5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene
CID 86080234

Frequently Asked Questions

What is the IUPAC name of 33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene?
The IUPAC name of 33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene (CID 135080725) is 33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene.
What is the SMILES notation for 33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene?
The canonical SMILES for 33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene is COc1ccc(Oc2cc3c(cc2Oc2ccc(OC)cc2)-c2nc-3nc3[nH]c(nc4nc(nc5[nH]c(n2)c2cc(Oc6ccc(OC)cc6)c(Oc6ccc(OC)cc6)cc52)-c2cc(OCc5ccc(OCC6CC7C=CC6C7)cc5)ccc2-4)c2cc(Oc4ccc(OC)cc4)c(Oc4ccc(OC)cc4)cc32)cc1.
What is the InChIKey of 33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene?
The InChIKey is FHWLIHGWQLHUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H70N8O14/c1-98-54-13-25-61(26-14-54)106-76-42-70-71(43-77(76)107-62-27-15-55(99-2)16-28-62)86-93-84(70)91-82-68-38-37-67(104-48-50-8-11-60(12-9-50)105-49-53-40-51-7-10-52(53)39-51)41-69(68)83(90-82)92-85-72-44-78(108-63-29-17-56(100-3)18-30-63)79(109-64-31-19-57(101-4)20-32-64)45-73(72)87(94-85)96-89-75-47-81(111-66-35-23-59(103-6)24-36-66)80(46-74(75)88(95-86)97-89)110-65-33-21-58(102-5)22-34-65/h7-38,41-47,51-53H,39-40,48-49H2,1-6H3,(H2,90,91,92,93,94,95,96,97).
What are the key properties of 33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene?
33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene has a molecular weight of 1475.58 g/mol, XLogP of 20.84, 24 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene is sourced from PubChem (CID 135080725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).