14,14,30,30,46,46,62,62-octamethyl-13,15,29,31,45,47,61,63-octaoxa-6,22,38,54,67,68,71,74-octazahenicosacyclo[57.5.2.211,17.227,33.243,49.15,55.17,21.123,37.139,53.02,58.04,56.08,20.010,18.012,16.024,36.026,34.028,32.040,52.042,50.044,48.060,64]hexaheptaconta-2(58),3,5,7,9,18,20,22,24,26(34),35,37(71),38,40,42(50),51,53,55(67),56,65,69,72,75-tricosaene

C68H58N8O8 — CID 137295199

About 14,14,30,30,46,46,62,62-octamethyl-13,15,29,31,45,47,61,63-octaoxa-6,22,38,54,67,68,71,74-octazahenicosacyclo[57.5.2.211,17.227,33.243,49.15,55.17,21.123,37.139,53.02,58.04,56.08,20.010,18.012,16.024,36.026,34.028,32.040,52.042,50.044,48.060,64]hexaheptaconta-2(58),3,5,7,9,18,20,22,24,26(34),35,37(71),38,40,42(50),51,53,55(67),56,65,69,72,75-tricosaene

14,14,30,30,46,46,62,62-octamethyl-13,15,29,31,45,47,61,63-octaoxa-6,22,38,54,67,68,71,74-octazahenicosacyclo[57.5.2.211,17.227,33.243,49.15,55.17,21.123,37.139,53.02,58.04,56.08,20.010,18.012,16.024,36.026,34.028,32.040,52.042,50.044,48.060,64]hexaheptaconta-2(58),3,5,7,9,18,20,22,24,26(34),35,37(71),38,40,42(50),51,53,55(67),56,65,69,72,75-tricosaene (PubChem CID 137295199) has the molecular formula C68H58N8O8 and a molecular weight of 1115.26 g/mol. Its IUPAC name is 14,14,30,30,46,46,62,62-octamethyl-13,15,29,31,45,47,61,63-octaoxa-6,22,38,54,67,68,71,74-octazahenicosacyclo[57.5.2.211,17.227,33.243,49.15,55.17,21.123,37.139,53.02,58.04,56.08,20.010,18.012,16.024,36.026,34.028,32.040,52.042,50.044,48.060,64]hexaheptaconta-2(58),3,5,7,9,18,20,22,24,26(34),35,37(71),38,40,42(50),51,53,55(67),56,65,69,72,75-tricosaene.

Molecular Properties

• Compound Name: 14,14,30,30,46,46,62,62-octamethyl-13,15,29,31,45,47,61,63-octaoxa-6,22,38,54,67,68,71,74-octazahenicosacyclo[57.5.2.211,17.227,33.243,49.15,55.17,21.123,37.139,53.02,58.04,56.08,20.010,18.012,16.024,36.026,34.028,32.040,52.042,50.044,48.060,64]hexaheptaconta-2(58),3,5,7,9,18,20,22,24,26(34),35,37(71),38,40,42(50),51,53,55(67),56,65,69,72,75-tricosaene
• PubChem CID: 137295199
• Molecular Formula: C68H58N8O8
• Molecular Weight: 1115.26 g/mol
• Exact Mass: 1114.44
• IUPAC Name: 14,14,30,30,46,46,62,62-octamethyl-13,15,29,31,45,47,61,63-octaoxa-6,22,38,54,67,68,71,74-octazahenicosacyclo[57.5.2.211,17.227,33.243,49.15,55.17,21.123,37.139,53.02,58.04,56.08,20.010,18.012,16.024,36.026,34.028,32.040,52.042,50.044,48.060,64]hexaheptaconta-2(58),3,5,7,9,18,20,22,24,26(34),35,37(71),38,40,42(50),51,53,55(67),56,65,69,72,75-tricosaene
• SMILES: CC1(C)OC2C3C=CC(c4cc5c(cc43)-c3nc-5nc4[nH]c(nc5nc(nc6[nH]c(n3)c3cc7c(cc63)C3C=CC7C6OC(C)(C)OC36)-c3cc6c(cc3-5)C3C=CC6C5OC(C)(C)OC35)c3cc5c(cc43)C3C=CC5C4OC(C)(C)OC34)C2O1
• InChI: InChI=1S/C68H58N8O8/c1-65(2)77-49-25-9-10-26(50(49)78-65)34-18-42-41(17-33(25)34)57-69-58(42)74-60-44-20-36-28-12-14-30(54-52(28)80-67(5,6)82-54)38(36)22-46(44)62(71-60)76-64-48-24-40-32-16-15-31(55-56(32)84-68(7,8)83-55)39(40)23-47(48)63(72-64)75-61-45-21-37-29-13-11-27(51-53(29)81-66(3,4)79-51)35(37)19-43(45)59(70-61)73-57/h9-32,49-56H,1-8H3,(H2,69,70,71,72,73,74,75,76)
• InChIKey: ZHZYOGXQURRDSL-UHFFFAOYSA-N
• XLogP: 11.95
• TPSA: 182.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1115.26
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14,14,30,30,46,46,62,62-octamethyl-13,15,29,31,45,47,61,63-octaoxa-6,22,38,54,67,68,71,74-octazahenicosacyclo[57.5.2.211,17.227,33.243,49.15,55.17,21.123,37.139,53.02,58.04,56.08,20.010,18.012,16.024,36.026,34.028,32.040,52.042,50.044,48.060,64]hexaheptaconta-2(58),3,5,7,9,18,20,22,24,26(34),35,37(71),38,40,42(50),51,53,55(67),56,65,69,72,75-tricosaene?

The IUPAC name of 14,14,30,30,46,46,62,62-octamethyl-13,15,29,31,45,47,61,63-octaoxa-6,22,38,54,67,68,71,74-octazahenicosacyclo[57.5.2.211,17.227,33.243,49.15,55.17,21.123,37.139,53.02,58.04,56.08,20.010,18.012,16.024,36.026,34.028,32.040,52.042,50.044,48.060,64]hexaheptaconta-2(58),3,5,7,9,18,20,22,24,26(34),35,37(71),38,40,42(50),51,53,55(67),56,65,69,72,75-tricosaene (CID 137295199) is 14,14,30,30,46,46,62,62-octamethyl-13,15,29,31,45,47,61,63-octaoxa-6,22,38,54,67,68,71,74-octazahenicosacyclo[57.5.2.211,17.227,33.243,49.15,55.17,21.123,37.139,53.02,58.04,56.08,20.010,18.012,16.024,36.026,34.028,32.040,52.042,50.044,48.060,64]hexaheptaconta-2(58),3,5,7,9,18,20,22,24,26(34),35,37(71),38,40,42(50),51,53,55(67),56,65,69,72,75-tricosaene.

What is the SMILES notation for 14,14,30,30,46,46,62,62-octamethyl-13,15,29,31,45,47,61,63-octaoxa-6,22,38,54,67,68,71,74-octazahenicosacyclo[57.5.2.211,17.227,33.243,49.15,55.17,21.123,37.139,53.02,58.04,56.08,20.010,18.012,16.024,36.026,34.028,32.040,52.042,50.044,48.060,64]hexaheptaconta-2(58),3,5,7,9,18,20,22,24,26(34),35,37(71),38,40,42(50),51,53,55(67),56,65,69,72,75-tricosaene?

The canonical SMILES for 14,14,30,30,46,46,62,62-octamethyl-13,15,29,31,45,47,61,63-octaoxa-6,22,38,54,67,68,71,74-octazahenicosacyclo[57.5.2.211,17.227,33.243,49.15,55.17,21.123,37.139,53.02,58.04,56.08,20.010,18.012,16.024,36.026,34.028,32.040,52.042,50.044,48.060,64]hexaheptaconta-2(58),3,5,7,9,18,20,22,24,26(34),35,37(71),38,40,42(50),51,53,55(67),56,65,69,72,75-tricosaene is CC1(C)OC2C3C=CC(c4cc5c(cc43)-c3nc-5nc4[nH]c(nc5nc(nc6[nH]c(n3)c3cc7c(cc63)C3C=CC7C6OC(C)(C)OC36)-c3cc6c(cc3-5)C3C=CC6C5OC(C)(C)OC35)c3cc5c(cc43)C3C=CC5C4OC(C)(C)OC34)C2O1.

What is the InChIKey of 14,14,30,30,46,46,62,62-octamethyl-13,15,29,31,45,47,61,63-octaoxa-6,22,38,54,67,68,71,74-octazahenicosacyclo[57.5.2.211,17.227,33.243,49.15,55.17,21.123,37.139,53.02,58.04,56.08,20.010,18.012,16.024,36.026,34.028,32.040,52.042,50.044,48.060,64]hexaheptaconta-2(58),3,5,7,9,18,20,22,24,26(34),35,37(71),38,40,42(50),51,53,55(67),56,65,69,72,75-tricosaene?

The InChIKey is ZHZYOGXQURRDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H58N8O8/c1-65(2)77-49-25-9-10-26(50(49)78-65)34-18-42-41(17-33(25)34)57-69-58(42)74-60-44-20-36-28-12-14-30(54-52(28)80-67(5,6)82-54)38(36)22-46(44)62(71-60)76-64-48-24-40-32-16-15-31(55-56(32)84-68(7,8)83-55)39(40)23-47(48)63(72-64)75-61-45-21-37-29-13-11-27(51-53(29)81-66(3,4)79-51)35(37)19-43(45)59(70-61)73-57/h9-32,49-56H,1-8H3,(H2,69,70,71,72,73,74,75,76).

What are the key properties of 14,14,30,30,46,46,62,62-octamethyl-13,15,29,31,45,47,61,63-octaoxa-6,22,38,54,67,68,71,74-octazahenicosacyclo[57.5.2.211,17.227,33.243,49.15,55.17,21.123,37.139,53.02,58.04,56.08,20.010,18.012,16.024,36.026,34.028,32.040,52.042,50.044,48.060,64]hexaheptaconta-2(58),3,5,7,9,18,20,22,24,26(34),35,37(71),38,40,42(50),51,53,55(67),56,65,69,72,75-tricosaene?

14,14,30,30,46,46,62,62-octamethyl-13,15,29,31,45,47,61,63-octaoxa-6,22,38,54,67,68,71,74-octazahenicosacyclo[57.5.2.211,17.227,33.243,49.15,55.17,21.123,37.139,53.02,58.04,56.08,20.010,18.012,16.024,36.026,34.028,32.040,52.042,50.044,48.060,64]hexaheptaconta-2(58),3,5,7,9,18,20,22,24,26(34),35,37(71),38,40,42(50),51,53,55(67),56,65,69,72,75-tricosaene has a molecular weight of 1115.26 g/mol, XLogP of 11.95, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14,30,30,46,46,62,62-octamethyl-13,15,29,31,45,47,61,63-octaoxa-6,22,38,54,67,68,71,74-octazahenicosacyclo[57.5.2.211,17.227,33.243,49.15,55.17,21.123,37.139,53.02,58.04,56.08,20.010,18.012,16.024,36.026,34.028,32.040,52.042,50.044,48.060,64]hexaheptaconta-2(58),3,5,7,9,18,20,22,24,26(34),35,37(71),38,40,42(50),51,53,55(67),56,65,69,72,75-tricosaene is sourced from PubChem (CID 137295199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).