6,7,15,16,24,25,33,34-octadodecoxy-37,38,39,40-tetrazanonacyclo[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),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene

C132H214N4O8 — CID 136729224

About 6,7,15,16,24,25,33,34-octadodecoxy-37,38,39,40-tetrazanonacyclo[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),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene

6,7,15,16,24,25,33,34-octadodecoxy-37,38,39,40-tetrazanonacyclo[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),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene (PubChem CID 136729224) has the molecular formula C132H214N4O8 and a molecular weight of 1985.18 g/mol. Its IUPAC name is 6,7,15,16,24,25,33,34-octadodecoxy-37,38,39,40-tetrazanonacyclo[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),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene.

Molecular Properties

• Compound Name: 6,7,15,16,24,25,33,34-octadodecoxy-37,38,39,40-tetrazanonacyclo[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),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene
• PubChem CID: 136729224
• Molecular Formula: C132H214N4O8
• Molecular Weight: 1985.18 g/mol
• Exact Mass: 1983.65
• IUPAC Name: 6,7,15,16,24,25,33,34-octadodecoxy-37,38,39,40-tetrazanonacyclo[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),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene
• SMILES: CCCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCCCC)-c1cc3[nH]c(cc4nc(cc5[nH]c(cc-2n1)c1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc51)-c1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc1-4)c1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc31
• InChI: InChI=1S/C132H214N4O8/c1-9-17-25-33-41-49-57-65-73-81-89-137-125-97-109-110(98-126(125)138-90-82-74-66-58-50-42-34-26-18-10-2)118-106-120-113-101-129(141-93-85-77-69-61-53-45-37-29-21-13-5)130(142-94-86-78-70-62-54-46-38-30-22-14-6)102-114(113)122(135-120)108-124-116-104-132(144-96-88-80-72-64-56-48-40-32-24-16-8)131(143-95-87-79-71-63-55-47-39-31-23-15-7)103-115(116)123(136-124)107-121-112-100-128(140-92-84-76-68-60-52-44-36-28-20-12-4)127(99-111(112)119(134-121)105-117(109)133-118)139-91-83-75-67-59-51-43-35-27-19-11-3/h97-108,133,136H,9-96H2,1-8H3/b117-105-,118-106-,119-105-,120-106-,121-107-,122-108-,123-107-,124-108-
• InChIKey: FDELZTUJSVWRTH-PTCOPHCFSA-N
• XLogP: 43.69
• TPSA: 131.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 96
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1985.18
LogP ≤ 5	43.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,7,15,16,24,25,33,34-octadodecoxy-37,38,39,40-tetrazanonacyclo[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),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene?

The IUPAC name of 6,7,15,16,24,25,33,34-octadodecoxy-37,38,39,40-tetrazanonacyclo[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),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene (CID 136729224) is 6,7,15,16,24,25,33,34-octadodecoxy-37,38,39,40-tetrazanonacyclo[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),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene.

What is the SMILES notation for 6,7,15,16,24,25,33,34-octadodecoxy-37,38,39,40-tetrazanonacyclo[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),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene?

The canonical SMILES for 6,7,15,16,24,25,33,34-octadodecoxy-37,38,39,40-tetrazanonacyclo[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),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene is CCCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCCCC)-c1cc3[nH]c(cc4nc(cc5[nH]c(cc-2n1)c1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc51)-c1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc1-4)c1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc31.

What is the InChIKey of 6,7,15,16,24,25,33,34-octadodecoxy-37,38,39,40-tetrazanonacyclo[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),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene?

The InChIKey is FDELZTUJSVWRTH-PTCOPHCFSA-N. The full InChI is InChI=1S/C132H214N4O8/c1-9-17-25-33-41-49-57-65-73-81-89-137-125-97-109-110(98-126(125)138-90-82-74-66-58-50-42-34-26-18-10-2)118-106-120-113-101-129(141-93-85-77-69-61-53-45-37-29-21-13-5)130(142-94-86-78-70-62-54-46-38-30-22-14-6)102-114(113)122(135-120)108-124-116-104-132(144-96-88-80-72-64-56-48-40-32-24-16-8)131(143-95-87-79-71-63-55-47-39-31-23-15-7)103-115(116)123(136-124)107-121-112-100-128(140-92-84-76-68-60-52-44-36-28-20-12-4)127(99-111(112)119(134-121)105-117(109)133-118)139-91-83-75-67-59-51-43-35-27-19-11-3/h97-108,133,136H,9-96H2,1-8H3/b117-105-,118-106-,119-105-,120-106-,121-107-,122-108-,123-107-,124-108-.

What are the key properties of 6,7,15,16,24,25,33,34-octadodecoxy-37,38,39,40-tetrazanonacyclo[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),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene?

6,7,15,16,24,25,33,34-octadodecoxy-37,38,39,40-tetrazanonacyclo[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),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene has a molecular weight of 1985.18 g/mol, XLogP of 43.69, 96 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7,15,16,24,25,33,34-octadodecoxy-37,38,39,40-tetrazanonacyclo[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),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene is sourced from PubChem (CID 136729224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).