28,38,46,48-tetrakis(2-ethoxyethoxy)-9,19,58,60-tetrapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6(59),7,9,12(58),13,15,18,20,22(50),23,25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-hexacosaene

C86H102N2O12 — CID 10630290

About 28,38,46,48-tetrakis(2-ethoxyethoxy)-9,19,58,60-tetrapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6(59),7,9,12(58),13,15,18,20,22(50),23,25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-hexacosaene

28,38,46,48-tetrakis(2-ethoxyethoxy)-9,19,58,60-tetrapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6(59),7,9,12(58),13,15,18,20,22(50),23,25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-hexacosaene (PubChem CID 10630290) has the molecular formula C86H102N2O12 and a molecular weight of 1355.76 g/mol. Its IUPAC name is 28,38,46,48-tetrakis(2-ethoxyethoxy)-9,19,58,60-tetrapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6(59),7,9,12(58),13,15,18,20,22(50),23,25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-hexacosaene.

Molecular Properties

• Compound Name: 28,38,46,48-tetrakis(2-ethoxyethoxy)-9,19,58,60-tetrapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6(59),7,9,12(58),13,15,18,20,22(50),23,25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-hexacosaene
• PubChem CID: 10630290
• Molecular Formula: C86H102N2O12
• Molecular Weight: 1355.76 g/mol
• Exact Mass: 1354.74
• IUPAC Name: 28,38,46,48-tetrakis(2-ethoxyethoxy)-9,19,58,60-tetrapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6(59),7,9,12(58),13,15,18,20,22(50),23,25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-hexacosaene
• SMILES: CCCOc1c2cccc1Cc1cc3cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(cc(c1OCCC)C2)C=Nc1cc2c(OCCOCC)c(c1)Cc1cccc(c1OCCOCC)Cc1cc(cc(c1OCCOCC)Cc1cccc(c1OCCOCC)C2)/N=C/3
• InChI: InChI=1S/C86H102N2O12/c1-9-29-93-79-61-21-17-22-62(79)46-70-42-60-44-72(84(70)96-32-12-4)48-64-24-18-23-63(80(64)94-30-10-2)47-71-43-59(41-69(45-61)83(71)95-31-11-3)57-87-77-53-73-49-65-25-19-27-67(81(65)97-37-33-89-13-5)51-75-55-78(88-58-60)56-76(86(75)100-40-36-92-16-8)52-68-28-20-26-66(82(68)98-38-34-90-14-6)50-74(54-77)85(73)99-39-35-91-15-7/h17-28,41-44,53-58H,9-16,29-40,45-52H2,1-8H3/b87-57+,88-58?
• InChIKey: NGDWABREZBRAJF-JIDIHEOTSA-N
• XLogP: 17.67
• TPSA: 135.48 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 32
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1355.76
LogP ≤ 5	17.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 28,38,46,48-tetrakis(2-ethoxyethoxy)-9,19,58,60-tetrapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6(59),7,9,12(58),13,15,18,20,22(50),23,25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-hexacosaene?

The IUPAC name of 28,38,46,48-tetrakis(2-ethoxyethoxy)-9,19,58,60-tetrapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6(59),7,9,12(58),13,15,18,20,22(50),23,25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-hexacosaene (CID 10630290) is 28,38,46,48-tetrakis(2-ethoxyethoxy)-9,19,58,60-tetrapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6(59),7,9,12(58),13,15,18,20,22(50),23,25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-hexacosaene.

What is the SMILES notation for 28,38,46,48-tetrakis(2-ethoxyethoxy)-9,19,58,60-tetrapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6(59),7,9,12(58),13,15,18,20,22(50),23,25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-hexacosaene?

The canonical SMILES for 28,38,46,48-tetrakis(2-ethoxyethoxy)-9,19,58,60-tetrapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6(59),7,9,12(58),13,15,18,20,22(50),23,25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-hexacosaene is CCCOc1c2cccc1Cc1cc3cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(cc(c1OCCC)C2)C=Nc1cc2c(OCCOCC)c(c1)Cc1cccc(c1OCCOCC)Cc1cc(cc(c1OCCOCC)Cc1cccc(c1OCCOCC)C2)/N=C/3.

What is the InChIKey of 28,38,46,48-tetrakis(2-ethoxyethoxy)-9,19,58,60-tetrapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6(59),7,9,12(58),13,15,18,20,22(50),23,25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-hexacosaene?

The InChIKey is NGDWABREZBRAJF-JIDIHEOTSA-N. The full InChI is InChI=1S/C86H102N2O12/c1-9-29-93-79-61-21-17-22-62(79)46-70-42-60-44-72(84(70)96-32-12-4)48-64-24-18-23-63(80(64)94-30-10-2)47-71-43-59(41-69(45-61)83(71)95-31-11-3)57-87-77-53-73-49-65-25-19-27-67(81(65)97-37-33-89-13-5)51-75-55-78(88-58-60)56-76(86(75)100-40-36-92-16-8)52-68-28-20-26-66(82(68)98-38-34-90-14-6)50-74(54-77)85(73)99-39-35-91-15-7/h17-28,41-44,53-58H,9-16,29-40,45-52H2,1-8H3/b87-57+,88-58?.

What are the key properties of 28,38,46,48-tetrakis(2-ethoxyethoxy)-9,19,58,60-tetrapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6(59),7,9,12(58),13,15,18,20,22(50),23,25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-hexacosaene?

28,38,46,48-tetrakis(2-ethoxyethoxy)-9,19,58,60-tetrapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6(59),7,9,12(58),13,15,18,20,22(50),23,25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-hexacosaene has a molecular weight of 1355.76 g/mol, XLogP of 17.67, 32 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 28,38,46,48-tetrakis(2-ethoxyethoxy)-9,19,58,60-tetrapropoxy-4,24-diazaundecacyclo[25.11.7.78,20.13,37.16,10.112,16.118,22.125,29.131,35.140,44.152,56]hexaconta-1,3(47),4,6(59),7,9,12(58),13,15,18,20,22(50),23,25(49),26,28,31,33,35(48),37,40(46),41,43,52,54,56(60)-hexacosaene is sourced from PubChem (CID 10630290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).