trisilver bis(1-[1,1-di(pyrazol-1-yl)-2-[[2,4,6-trimethyl-3,5-bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole)

C90H96Ag3N36O6+3 — CID 11980548

About trisilver bis(1-[1,1-di(pyrazol-1-yl)-2-[[2,4,6-trimethyl-3,5-bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole)

trisilver bis(1-[1,1-di(pyrazol-1-yl)-2-[[2,4,6-trimethyl-3,5-bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole) (PubChem CID 11980548) has the molecular formula C90H96Ag3N36O6+3 and a molecular weight of 2101.61 g/mol. Its IUPAC name is trisilver bis(1-[1,1-di(pyrazol-1-yl)-2-[[2,4,6-trimethyl-3,5-bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole).

Molecular Properties

• Compound Name: trisilver bis(1-[1,1-di(pyrazol-1-yl)-2-[[2,4,6-trimethyl-3,5-bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole)
• PubChem CID: 11980548
• Molecular Formula: C90H96Ag3N36O6+3
• Molecular Weight: 2101.61 g/mol
• Exact Mass: 2097.55
• IUPAC Name: trisilver bis(1-[1,1-di(pyrazol-1-yl)-2-[[2,4,6-trimethyl-3,5-bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole)
• SMILES: Cc1c(COCC(n2cccn2)(n2cccn2)n2cccn2)c(C)c(COCC(n2cccn2)(n2cccn2)n2cccn2)c(C)c1COCC(n1cccn1)(n1cccn1)n1cccn1.Cc1c(COCC(n2cccn2)(n2cccn2)n2cccn2)c(C)c(COCC(n2cccn2)(n2cccn2)n2cccn2)c(C)c1COCC(n1cccn1)(n1cccn1)n1cccn1.[Ag+].[Ag+].[Ag+]
• InChI: InChI=1S/2C45H48N18O3.3Ag/c2*1-37-40(31-64-34-43(55-22-4-13-46-55,56-23-5-14-47-56)57-24-6-15-48-57)38(2)42(33-66-36-45(61-28-10-19-52-61,62-29-11-20-53-62)63-30-12-21-54-63)39(3)41(37)32-65-35-44(58-25-7-16-49-58,59-26-8-17-50-59)60-27-9-18-51-60;;;/h2*4-30H,31-36H2,1-3H3;;;/q;;3*+1
• InChIKey: ZILPSNZKDCFNDB-UHFFFAOYSA-N
• XLogP: 8.30
• TPSA: 376.14 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 42
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2101.61
LogP ≤ 5	8.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of trisilver bis(1-[1,1-di(pyrazol-1-yl)-2-[[2,4,6-trimethyl-3,5-bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole)?

The IUPAC name of trisilver bis(1-[1,1-di(pyrazol-1-yl)-2-[[2,4,6-trimethyl-3,5-bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole) (CID 11980548) is trisilver bis(1-[1,1-di(pyrazol-1-yl)-2-[[2,4,6-trimethyl-3,5-bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole).

What is the SMILES notation for trisilver bis(1-[1,1-di(pyrazol-1-yl)-2-[[2,4,6-trimethyl-3,5-bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole)?

The canonical SMILES for trisilver bis(1-[1,1-di(pyrazol-1-yl)-2-[[2,4,6-trimethyl-3,5-bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole) is Cc1c(COCC(n2cccn2)(n2cccn2)n2cccn2)c(C)c(COCC(n2cccn2)(n2cccn2)n2cccn2)c(C)c1COCC(n1cccn1)(n1cccn1)n1cccn1.Cc1c(COCC(n2cccn2)(n2cccn2)n2cccn2)c(C)c(COCC(n2cccn2)(n2cccn2)n2cccn2)c(C)c1COCC(n1cccn1)(n1cccn1)n1cccn1.[Ag+].[Ag+].[Ag+].

What is the InChIKey of trisilver bis(1-[1,1-di(pyrazol-1-yl)-2-[[2,4,6-trimethyl-3,5-bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole)?

The InChIKey is ZILPSNZKDCFNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H48N18O3.3Ag/c2*1-37-40(31-64-34-43(55-22-4-13-46-55,56-23-5-14-47-56)57-24-6-15-48-57)38(2)42(33-66-36-45(61-28-10-19-52-61,62-29-11-20-53-62)63-30-12-21-54-63)39(3)41(37)32-65-35-44(58-25-7-16-49-58,59-26-8-17-50-59)60-27-9-18-51-60;;;/h2*4-30H,31-36H2,1-3H3;;;/q;;3*+1.

What are the key properties of trisilver bis(1-[1,1-di(pyrazol-1-yl)-2-[[2,4,6-trimethyl-3,5-bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole)?

trisilver bis(1-[1,1-di(pyrazol-1-yl)-2-[[2,4,6-trimethyl-3,5-bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole) has a molecular weight of 2101.61 g/mol, XLogP of 8.30, 42 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for trisilver bis(1-[1,1-di(pyrazol-1-yl)-2-[[2,4,6-trimethyl-3,5-bis[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole) is sourced from PubChem (CID 11980548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).