6,15,24,33-tetrahexadecyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[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

C92H146N12+4 — CID 137317410

About 6,15,24,33-tetrahexadecyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[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-tetrahexadecyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[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 137317410) has the molecular formula C92H146N12+4 and a molecular weight of 1420.26 g/mol. Its IUPAC name is 6,15,24,33-tetrahexadecyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[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 Name: 6,15,24,33-tetrahexadecyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[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: 137317410
• Molecular Formula: C92H146N12+4
• Molecular Weight: 1420.26 g/mol
• Exact Mass: 1419.18
• IUPAC Name: 6,15,24,33-tetrahexadecyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[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
• SMILES: CCCCCCCCCCCCCCCC[n+]1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc[n+](CCCCCCCCCCCCCCCC)cc41)-c1cc[n+](CCCCCCCCCCCCCCCC)cc1-3)c1cc[n+](CCCCCCCCCCCCCCCC)cc21
• InChI: InChI=1S/C92H145N12/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-65-101-69-61-77-81(73-101)89-93-85(77)98-90-83-75-103(67-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)71-63-79(83)87(95-90)100-92-84-76-104(68-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-64-80(84)88(96-92)99-91-82-74-102(70-62-78(82)86(94-91)97-89)66-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h61-64,69-76H,5-60,65-68H2,1-4H3,(H,93,94,95,96,97,98,99,100)/q+3/p+1
• InChIKey: VMSHATGJKLJPSJ-UHFFFAOYSA-O
• XLogP: 25.94
• TPSA: 124.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 60
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1420.26
LogP ≤ 5	25.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,15,24,33-tetrahexadecyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[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-tetrahexadecyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[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 137317410) is 6,15,24,33-tetrahexadecyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[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-tetrahexadecyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[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-tetrahexadecyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[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 CCCCCCCCCCCCCCCC[n+]1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc[n+](CCCCCCCCCCCCCCCC)cc41)-c1cc[n+](CCCCCCCCCCCCCCCC)cc1-3)c1cc[n+](CCCCCCCCCCCCCCCC)cc21.

What is the InChIKey of 6,15,24,33-tetrahexadecyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[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 VMSHATGJKLJPSJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C92H145N12/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-65-101-69-61-77-81(73-101)89-93-85(77)98-90-83-75-103(67-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)71-63-79(83)87(95-90)100-92-84-76-104(68-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-64-80(84)88(96-92)99-91-82-74-102(70-62-78(82)86(94-91)97-89)66-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h61-64,69-76H,5-60,65-68H2,1-4H3,(H,93,94,95,96,97,98,99,100)/q+3/p+1.

What are the key properties of 6,15,24,33-tetrahexadecyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[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-tetrahexadecyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[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 1420.26 g/mol, XLogP of 25.94, 60 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6,15,24,33-tetrahexadecyl-2,11,20,29,37,38,39,40-octaza-6,15,24,33-tetrazonianonacyclo[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 137317410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).