6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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

C80H90N8O24 — CID 177409300

IUPAC6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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
SMILESCC1(C)O[C@H]2[C@@H](O1)[C@@H](COc1ccc3c(c1)-c1nc-3nc3[nH]c(nc4nc(nc5[nH]c(n1)c1ccc(OC[C@H]6O[C@@H]7OC(C)(C)O[C@@H]7[C@H]7OC(C)(C)O[C@H]76)cc51)-c1ccc(OC[C@H]5O[C@@H]6OC(C)(C)O[C@@H]6[C@H]6OC(C)(C)O[C@H]65)cc1-4)c1ccc(OC[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]5OC(C)(C)O[C@H]54)cc31)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C80H90N8O24/c1-73(2)97-49-45(93-69-57(53(49)101-73)105-77(9,10)109-69)29-89-33-17-21-37-41(25-33)65-81-61(37)86-66-43-27-35(91-31-47-51-55(103-75(5,6)99-51)59-71(95-47)111-79(13,14)107-59)19-23-39(43)63(83-66)88-68-44-28-36(92-32-48-52-56(104-76(7,8)100-52)60-72(96-48)112-80(15,16)108-60)20-24-40(44)64(84-68)87-67-42-26-34(18-22-38(42)62(82-67)85-65)90-30-46-50-54(102-74(3,4)98-50)58-70(94-46)110-78(11,12)106-58/h17-28,45-60,69-72H,29-32H2,1-16H3,(H2,81,82,83,84,85,86,87,88)/t45-,46-,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57-,58-,59-,60-,69-,70-,71-,72-/m1/s1
InChIKeyROZNUOQBYFXSLW-GLROKFLGSA-N
MW1547.63 g/mol
LogP9.97
Rot. Bonds12

About 6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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

6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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 (PubChem CID 177409300) has the molecular formula C80H90N8O24 and a molecular weight of 1547.63 g/mol. Its IUPAC name is 6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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.

Molecular Properties

Compound Name6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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
PubChem CID177409300
Molecular FormulaC80H90N8O24
Molecular Weight1547.63 g/mol
Exact Mass1546.61
IUPAC Name6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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
SMILESCC1(C)O[C@H]2[C@@H](O1)[C@@H](COc1ccc3c(c1)-c1nc-3nc3[nH]c(nc4nc(nc5[nH]c(n1)c1ccc(OC[C@H]6O[C@@H]7OC(C)(C)O[C@@H]7[C@H]7OC(C)(C)O[C@H]76)cc51)-c1ccc(OC[C@H]5O[C@@H]6OC(C)(C)O[C@@H]6[C@H]6OC(C)(C)O[C@H]65)cc1-4)c1ccc(OC[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]5OC(C)(C)O[C@H]54)cc31)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C80H90N8O24/c1-73(2)97-49-45(93-69-57(53(49)101-73)105-77(9,10)109-69)29-89-33-17-21-37-41(25-33)65-81-61(37)86-66-43-27-35(91-31-47-51-55(103-75(5,6)99-51)59-71(95-47)111-79(13,14)107-59)19-23-39(43)63(83-66)88-68-44-28-36(92-32-48-52-56(104-76(7,8)100-52)60-72(96-48)112-80(15,16)108-60)20-24-40(44)64(84-68)87-67-42-26-34(18-22-38(42)62(82-67)85-65)90-30-46-50-54(102-74(3,4)98-50)58-70(94-46)110-78(11,12)106-58/h17-28,45-60,69-72H,29-32H2,1-16H3,(H2,81,82,83,84,85,86,87,88)/t45-,46-,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57-,58-,59-,60-,69-,70-,71-,72-/m1/s1
InChIKeyROZNUOQBYFXSLW-GLROKFLGSA-N
XLogP9.97
TPSA330.44 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds12
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001547.63
LogP ≤ 59.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze 6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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?
The IUPAC name of 6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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 177409300) is 6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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.
What is the SMILES notation for 6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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?
The canonical SMILES for 6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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 is CC1(C)O[C@H]2[C@@H](O1)[C@@H](COc1ccc3c(c1)-c1nc-3nc3[nH]c(nc4nc(nc5[nH]c(n1)c1ccc(OC[C@H]6O[C@@H]7OC(C)(C)O[C@@H]7[C@H]7OC(C)(C)O[C@H]76)cc51)-c1ccc(OC[C@H]5O[C@@H]6OC(C)(C)O[C@@H]6[C@H]6OC(C)(C)O[C@H]65)cc1-4)c1ccc(OC[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]5OC(C)(C)O[C@H]54)cc31)O[C@@H]1OC(C)(C)O[C@@H]12.
What is the InChIKey of 6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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?
The InChIKey is ROZNUOQBYFXSLW-GLROKFLGSA-N. The full InChI is InChI=1S/C80H90N8O24/c1-73(2)97-49-45(93-69-57(53(49)101-73)105-77(9,10)109-69)29-89-33-17-21-37-41(25-33)65-81-61(37)86-66-43-27-35(91-31-47-51-55(103-75(5,6)99-51)59-71(95-47)111-79(13,14)107-59)19-23-39(43)63(83-66)88-68-44-28-36(92-32-48-52-56(104-76(7,8)100-52)60-72(96-48)112-80(15,16)108-60)20-24-40(44)64(84-68)87-67-42-26-34(18-22-38(42)62(82-67)85-65)90-30-46-50-54(102-74(3,4)98-50)58-70(94-46)110-78(11,12)106-58/h17-28,45-60,69-72H,29-32H2,1-16H3,(H2,81,82,83,84,85,86,87,88)/t45-,46-,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57-,58-,59-,60-,69-,70-,71-,72-/m1/s1.
What are the key properties of 6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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?
6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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 has a molecular weight of 1547.63 g/mol, XLogP of 9.97, 12 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15,24,33-tetrakis[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-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 is sourced from PubChem (CID 177409300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).