6,7,15,16,24,25-hexadodecoxy-33-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-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(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene

C121H196N8O15 — CID 135848291

About 6,7,15,16,24,25-hexadodecoxy-33-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-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(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene

6,7,15,16,24,25-hexadodecoxy-33-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-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(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene (PubChem CID 135848291) has the molecular formula C121H196N8O15 and a molecular weight of 2002.94 g/mol. Its IUPAC name is 6,7,15,16,24,25-hexadodecoxy-33-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-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(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene.

Molecular Properties

• Compound Name: 6,7,15,16,24,25-hexadodecoxy-33-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-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(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene
• PubChem CID: 135848291
• Molecular Formula: C121H196N8O15
• Molecular Weight: 2002.94 g/mol
• Exact Mass: 2001.48
• IUPAC Name: 6,7,15,16,24,25-hexadodecoxy-33-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-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(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene
• SMILES: CCCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCCCC)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc41)-c1cc(OCCOCCOCCOCCOCCOCCOCCOCCOC)ccc1-3)c1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc21
• InChI: InChI=1S/C121H196N8O15/c1-8-14-20-26-32-38-44-50-56-62-70-139-108-93-102-103(94-109(108)140-71-63-57-51-45-39-33-27-21-15-9-2)118-125-116(102)123-114-100-69-68-99(138-91-90-137-89-88-136-87-86-135-85-84-134-83-82-133-81-80-132-79-78-131-77-76-130-7)92-101(100)115(122-114)124-117-104-95-110(141-72-64-58-52-46-40-34-28-22-16-10-3)111(142-73-65-59-53-47-41-35-29-23-17-11-4)96-105(104)119(126-117)128-121-107-98-113(144-75-67-61-55-49-43-37-31-25-19-13-6)112(97-106(107)120(127-118)129-121)143-74-66-60-54-48-42-36-30-24-18-12-5/h68-69,92-98H,8-67,70-91H2,1-7H3,(H2,122,123,124,125,126,127,128,129)
• InChIKey: YIQSAHCADIFTJU-UHFFFAOYSA-N
• XLogP: 32.81
• TPSA: 247.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 97
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2002.94
LogP ≤ 5	32.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,7,15,16,24,25-hexadodecoxy-33-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-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(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene?

The IUPAC name of 6,7,15,16,24,25-hexadodecoxy-33-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-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(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene (CID 135848291) is 6,7,15,16,24,25-hexadodecoxy-33-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-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(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene.

What is the SMILES notation for 6,7,15,16,24,25-hexadodecoxy-33-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-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(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene?

The canonical SMILES for 6,7,15,16,24,25-hexadodecoxy-33-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-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(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene is CCCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCCCC)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc41)-c1cc(OCCOCCOCCOCCOCCOCCOCCOCCOC)ccc1-3)c1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc21.

What is the InChIKey of 6,7,15,16,24,25-hexadodecoxy-33-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-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(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene?

The InChIKey is YIQSAHCADIFTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C121H196N8O15/c1-8-14-20-26-32-38-44-50-56-62-70-139-108-93-102-103(94-109(108)140-71-63-57-51-45-39-33-27-21-15-9-2)118-125-116(102)123-114-100-69-68-99(138-91-90-137-89-88-136-87-86-135-85-84-134-83-82-133-81-80-132-79-78-131-77-76-130-7)92-101(100)115(122-114)124-117-104-95-110(141-72-64-58-52-46-40-34-28-22-16-10-3)111(142-73-65-59-53-47-41-35-29-23-17-11-4)96-105(104)119(126-117)128-121-107-98-113(144-75-67-61-55-49-43-37-31-25-19-13-6)112(97-106(107)120(127-118)129-121)143-74-66-60-54-48-42-36-30-24-18-12-5/h68-69,92-98H,8-67,70-91H2,1-7H3,(H2,122,123,124,125,126,127,128,129).

What are the key properties of 6,7,15,16,24,25-hexadodecoxy-33-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-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(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene?

6,7,15,16,24,25-hexadodecoxy-33-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-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(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene has a molecular weight of 2002.94 g/mol, XLogP of 32.81, 97 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7,15,16,24,25-hexadodecoxy-33-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-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(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene is sourced from PubChem (CID 135848291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).