6,14,24,35-tetramethoxy-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

C36H26N8O4 — CID 177413257

IUPAC6,14,24,35-tetramethoxy-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
SMILESCOc1ccc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c1)-c1cccc(OC)c1-6)c1ccc(OC)cc51)-c1c(OC)cccc1-4
InChIInChI=1S/C36H26N8O4/c1-45-17-11-13-19-23(15-17)33-38-29(19)37-31-21-7-5-10-26(48-4)28(21)36(42-31)44-34-24-16-18(46-2)12-14-20(24)30(39-34)41-35-27-22(32(40-33)43-35)8-6-9-25(27)47-3/h5-16H,1-4H3,(H2,37,38,39,40,41,42,43,44)
InChIKeySDYWLHQMKHZNKT-UHFFFAOYSA-N
MW634.66 g/mol
LogP6.90
Rot. Bonds4

About 6,14,24,35-tetramethoxy-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

6,14,24,35-tetramethoxy-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 177413257) has the molecular formula C36H26N8O4 and a molecular weight of 634.66 g/mol. Its IUPAC name is 6,14,24,35-tetramethoxy-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 Name6,14,24,35-tetramethoxy-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 CID177413257
Molecular FormulaC36H26N8O4
Molecular Weight634.66 g/mol
Exact Mass634.21
IUPAC Name6,14,24,35-tetramethoxy-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
SMILESCOc1ccc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c1)-c1cccc(OC)c1-6)c1ccc(OC)cc51)-c1c(OC)cccc1-4
InChIInChI=1S/C36H26N8O4/c1-45-17-11-13-19-23(15-17)33-38-29(19)37-31-21-7-5-10-26(48-4)28(21)36(42-31)44-34-24-16-18(46-2)12-14-20(24)30(39-34)41-35-27-22(32(40-33)43-35)8-6-9-25(27)47-3/h5-16H,1-4H3,(H2,37,38,39,40,41,42,43,44)
InChIKeySDYWLHQMKHZNKT-UHFFFAOYSA-N
XLogP6.90
TPSA145.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.66
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6,14,24,35-tetramethoxy-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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Related Compounds

6,15,24,33-tetrakis(2,5-dimethoxyphenoxy)-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 177472021
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
6-N,6-N,15-N,15-N,24-N,24-N,33-N,33-N-octakis(3-methoxyphenyl)-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-tetramine
CID 155644680
5,14,23-tris(2,4-dimethylpentan-3-yloxy)-2,11,20,29,41,42,43,44-octazadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1,3(44),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(42),29,31,33,35,37,39-henicosaene
CID 177389744
5,14,23,32-tetrakis(2-methoxyethoxy)-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 140753154
5,14,23,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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 135456232
N,N,N',N'-tetramethyl-2-(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(40),4(9),5,7,10,12,14,16,18,20,22,24,26,28,30(37),31,33,35-nonadecaen-5-yloxy)propane-1,3-diamine
CID 135853117
5,14,23,32-tetrakis(4-methylpentan-2-yloxy)-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 135446169
6,7-di(propan-2-yloxy)-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 137303744
6-propan-2-yl-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 137006038
2,15,28,41,54,66,67,68,69,70-decazahexadecacyclo[53.10.1.13,14.116,27.129,40.142,53.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50.056,65.058,63]heptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(69),28,30,32,34,36,38,40,42(67),43,45,47,49,51,53,55(66),56,58,60,62,64-tetratriacontaene
CID 163594324
2,11,20,29,43,44,45,46-octazadecacyclo[28.12.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36.037,42]hexatetraconta-1,3,5,7,9,11,13,15,17,19(45),20,22,24,26,28,30(43),31,33,35,37,39,41-docosaene
CID 177490392

Frequently Asked Questions

What is the IUPAC name of 6,14,24,35-tetramethoxy-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 6,14,24,35-tetramethoxy-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 177413257) is 6,14,24,35-tetramethoxy-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 6,14,24,35-tetramethoxy-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 6,14,24,35-tetramethoxy-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 COc1ccc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c1)-c1cccc(OC)c1-6)c1ccc(OC)cc51)-c1c(OC)cccc1-4.
What is the InChIKey of 6,14,24,35-tetramethoxy-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 SDYWLHQMKHZNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N8O4/c1-45-17-11-13-19-23(15-17)33-38-29(19)37-31-21-7-5-10-26(48-4)28(21)36(42-31)44-34-24-16-18(46-2)12-14-20(24)30(39-34)41-35-27-22(32(40-33)43-35)8-6-9-25(27)47-3/h5-16H,1-4H3,(H2,37,38,39,40,41,42,43,44).
What are the key properties of 6,14,24,35-tetramethoxy-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?
6,14,24,35-tetramethoxy-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 634.66 g/mol, XLogP of 6.90, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,14,24,35-tetramethoxy-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 177413257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).