1,4-bis[2-[2-[2-[2-[4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine

C92H112N8O16 — CID 56838399

About 1,4-bis[2-[2-[2-[2-[4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine

1,4-bis[2-[2-[2-[2-[4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine (PubChem CID 56838399) has the molecular formula C92H112N8O16 and a molecular weight of 1585.95 g/mol. Its IUPAC name is 1,4-bis[2-[2-[2-[2-[4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine.

Molecular Properties

• Compound Name: 1,4-bis[2-[2-[2-[2-[4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine
• PubChem CID: 56838399
• Molecular Formula: C92H112N8O16
• Molecular Weight: 1585.95 g/mol
• Exact Mass: 1584.82
• IUPAC Name: 1,4-bis[2-[2-[2-[2-[4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine
• SMILES: c1ccc(COC[C@H]2O[C@H](c3cn(CCOCCOCCOCCN4CCN(CCOCCOCCOCCn5cc([C@H]6O[C@H](COCc7ccccc7)[C@H](OCc7ccccc7)[C@H](OCc7ccccc7)[C@H]6OCc6ccccc6)nn5)CC4)nn3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
• InChI: InChI=1S/C92H112N8O16/c1-9-25-73(26-10-1)63-107-71-83-87(109-65-75-29-13-3-14-30-75)91(113-69-79-37-21-7-22-38-79)89(111-67-77-33-17-5-18-34-77)85(115-83)81-61-99(95-93-81)47-51-103-55-59-105-57-53-101-49-45-97-41-43-98(44-42-97)46-50-102-54-58-106-60-56-104-52-48-100-62-82(94-96-100)86-90(112-68-78-35-19-6-20-36-78)92(114-70-80-39-23-8-24-40-80)88(110-66-76-31-15-4-16-32-76)84(116-86)72-108-64-74-27-11-2-12-28-74/h1-40,61-62,83-92H,41-60,63-72H2/t83-,84-,85-,86-,87+,88+,89+,90+,91+,92+/m1/s1
• InChIKey: RYEJVKQUPZKBKA-QKXAMYPPSA-N
• XLogP: 12.11
• TPSA: 215.58 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 52
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1585.95
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-[2-[2-[2-[4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine?

The IUPAC name of 1,4-bis[2-[2-[2-[2-[4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine (CID 56838399) is 1,4-bis[2-[2-[2-[2-[4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine.

What is the SMILES notation for 1,4-bis[2-[2-[2-[2-[4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine?

The canonical SMILES for 1,4-bis[2-[2-[2-[2-[4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine is c1ccc(COC[C@H]2O[C@H](c3cn(CCOCCOCCOCCN4CCN(CCOCCOCCOCCn5cc([C@H]6O[C@H](COCc7ccccc7)[C@H](OCc7ccccc7)[C@H](OCc7ccccc7)[C@H]6OCc6ccccc6)nn5)CC4)nn3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1.

What is the InChIKey of 1,4-bis[2-[2-[2-[2-[4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine?

The InChIKey is RYEJVKQUPZKBKA-QKXAMYPPSA-N. The full InChI is InChI=1S/C92H112N8O16/c1-9-25-73(26-10-1)63-107-71-83-87(109-65-75-29-13-3-14-30-75)91(113-69-79-37-21-7-22-38-79)89(111-67-77-33-17-5-18-34-77)85(115-83)81-61-99(95-93-81)47-51-103-55-59-105-57-53-101-49-45-97-41-43-98(44-42-97)46-50-102-54-58-106-60-56-104-52-48-100-62-82(94-96-100)86-90(112-68-78-35-19-6-20-36-78)92(114-70-80-39-23-8-24-40-80)88(110-66-76-31-15-4-16-32-76)84(116-86)72-108-64-74-27-11-2-12-28-74/h1-40,61-62,83-92H,41-60,63-72H2/t83-,84-,85-,86-,87+,88+,89+,90+,91+,92+/m1/s1.

What are the key properties of 1,4-bis[2-[2-[2-[2-[4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine?

1,4-bis[2-[2-[2-[2-[4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine has a molecular weight of 1585.95 g/mol, XLogP of 12.11, 52 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-bis[2-[2-[2-[2-[4-[(2R,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]piperazine is sourced from PubChem (CID 56838399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).