6-[[4-[2-[2-[2-[2-[4-[[4-[[1-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)methoxy]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine

C56H70N16O12 — CID 58596756

About 6-[[4-[2-[2-[2-[2-[4-[[4-[[1-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)methoxy]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine

6-[[4-[2-[2-[2-[2-[4-[[4-[[1-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)methoxy]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine (PubChem CID 58596756) has the molecular formula C56H70N16O12 and a molecular weight of 1159.28 g/mol. Its IUPAC name is 6-[[4-[2-[2-[2-[2-[4-[[4-[[1-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)methoxy]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine.

Molecular Properties

• Compound Name: 6-[[4-[2-[2-[2-[2-[4-[[4-[[1-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)methoxy]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine
• PubChem CID: 58596756
• Molecular Formula: C56H70N16O12
• Molecular Weight: 1159.28 g/mol
• Exact Mass: 1158.54
• IUPAC Name: 6-[[4-[2-[2-[2-[2-[4-[[4-[[1-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)methoxy]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine
• SMILES: Nc1nc(COc2ccc(COCCOCCOCCOCCn3cc(COCc4ccc(COCc5cn(CCOCCOCCOCCOCc6ccc(COc7nc(N)nc8nc[nH]c78)cc6)nn5)cc4)nn3)cc2)c2[nH]cnc2n1
• InChI: InChI=1S/C56H70N16O12/c57-55-63-49(50-52(64-55)61-39-59-50)38-83-48-11-9-44(10-12-48)32-80-28-26-78-24-22-76-20-18-74-16-14-72-30-47(68-70-72)37-82-34-43-3-1-42(2-4-43)33-81-36-46-29-71(69-67-46)13-15-73-17-19-75-21-23-77-25-27-79-31-41-5-7-45(8-6-41)35-84-54-51-53(62-40-60-51)65-56(58)66-54/h1-12,29-30,39-40H,13-28,31-38H2,(H3,57,59,61,63,64)(H3,58,60,62,65,66)
• InChIKey: RAKIEIISCZOAMT-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 333.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 42
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1159.28
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[2-[2-[2-[2-[4-[[4-[[1-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)methoxy]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine?

The IUPAC name of 6-[[4-[2-[2-[2-[2-[4-[[4-[[1-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)methoxy]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine (CID 58596756) is 6-[[4-[2-[2-[2-[2-[4-[[4-[[1-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)methoxy]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine.

What is the SMILES notation for 6-[[4-[2-[2-[2-[2-[4-[[4-[[1-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)methoxy]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine?

The canonical SMILES for 6-[[4-[2-[2-[2-[2-[4-[[4-[[1-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)methoxy]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine is Nc1nc(COc2ccc(COCCOCCOCCOCCn3cc(COCc4ccc(COCc5cn(CCOCCOCCOCCOCc6ccc(COc7nc(N)nc8nc[nH]c78)cc6)nn5)cc4)nn3)cc2)c2[nH]cnc2n1.

What is the InChIKey of 6-[[4-[2-[2-[2-[2-[4-[[4-[[1-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)methoxy]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine?

The InChIKey is RAKIEIISCZOAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H70N16O12/c57-55-63-49(50-52(64-55)61-39-59-50)38-83-48-11-9-44(10-12-48)32-80-28-26-78-24-22-76-20-18-74-16-14-72-30-47(68-70-72)37-82-34-43-3-1-42(2-4-43)33-81-36-46-29-71(69-67-46)13-15-73-17-19-75-21-23-77-25-27-79-31-41-5-7-45(8-6-41)35-84-54-51-53(62-40-60-51)65-56(58)66-54/h1-12,29-30,39-40H,13-28,31-38H2,(H3,57,59,61,63,64)(H3,58,60,62,65,66).

What are the key properties of 6-[[4-[2-[2-[2-[2-[4-[[4-[[1-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)methoxy]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine?

6-[[4-[2-[2-[2-[2-[4-[[4-[[1-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)methoxy]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine has a molecular weight of 1159.28 g/mol, XLogP of 4.49, 42 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[2-[2-[2-[2-[4-[[4-[[1-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)methoxy]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine is sourced from PubChem (CID 58596756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).