tetrasilver;azanide;1-[1,1-di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole

C54H62Ag4N28O4 — CID 22834449

About tetrasilver;azanide;1-[1,1-di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole

tetrasilver;azanide;1-[1,1-di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole (PubChem CID 22834449) has the molecular formula C54H62Ag4N28O4 and a molecular weight of 1598.75 g/mol. Its IUPAC name is tetrasilver;azanide;1-[1,1-di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole.

Molecular Properties

• Compound Name: tetrasilver;azanide;1-[1,1-di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole
• PubChem CID: 22834449
• Molecular Formula: C54H62Ag4N28O4
• Molecular Weight: 1598.75 g/mol
• Exact Mass: 1594.17
• IUPAC Name: tetrasilver;azanide;1-[1,1-di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole
• SMILES: [Ag+].[Ag+].[Ag+].[Ag+].[NH2-].[NH2-].[NH2-].[NH2-].c1cnn(C(COCc2cc(COCC(n3cccn3)(n3cccn3)n3cccn3)c(COCC(n3cccn3)(n3cccn3)n3cccn3)cc2COCC(n2cccn2)(n2cccn2)n2cccn2)(n2cccn2)n2cccn2)c1
• InChI: InChI=1S/C54H54N24O4.4Ag.4H2N/c1-13-55-67(25-1)51(68-26-2-14-56-68,69-27-3-15-57-69)43-79-39-47-37-49(41-81-45-53(73-31-7-19-61-73,74-32-8-20-62-74)75-33-9-21-63-75)50(42-82-46-54(76-34-10-22-64-76,77-35-11-23-65-77)78-36-12-24-66-78)38-48(47)40-80-44-52(70-28-4-16-58-70,71-29-5-17-59-71)72-30-6-18-60-72;;;;;;;;/h1-38H,39-46H2;;;;;4*1H2/q;4*+1;4*-1
• InChIKey: UHOUXWQOXAMLKI-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 384.76 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1598.75
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of tetrasilver;azanide;1-[1,1-di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole?

The IUPAC name of tetrasilver;azanide;1-[1,1-di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole (CID 22834449) is tetrasilver;azanide;1-[1,1-di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole.

What is the SMILES notation for tetrasilver;azanide;1-[1,1-di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole?

The canonical SMILES for tetrasilver;azanide;1-[1,1-di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole is [Ag+].[Ag+].[Ag+].[Ag+].[NH2-].[NH2-].[NH2-].[NH2-].c1cnn(C(COCc2cc(COCC(n3cccn3)(n3cccn3)n3cccn3)c(COCC(n3cccn3)(n3cccn3)n3cccn3)cc2COCC(n2cccn2)(n2cccn2)n2cccn2)(n2cccn2)n2cccn2)c1.

What is the InChIKey of tetrasilver;azanide;1-[1,1-di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole?

The InChIKey is UHOUXWQOXAMLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H54N24O4.4Ag.4H2N/c1-13-55-67(25-1)51(68-26-2-14-56-68,69-27-3-15-57-69)43-79-39-47-37-49(41-81-45-53(73-31-7-19-61-73,74-32-8-20-62-74)75-33-9-21-63-75)50(42-82-46-54(76-34-10-22-64-76,77-35-11-23-65-77)78-36-12-24-66-78)38-48(47)40-80-44-52(70-28-4-16-58-70,71-29-5-17-59-71)72-30-6-18-60-72;;;;;;;;/h1-38H,39-46H2;;;;;4*1H2/q;4*+1;4*-1.

What are the key properties of tetrasilver;azanide;1-[1,1-di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole?

tetrasilver;azanide;1-[1,1-di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole has a molecular weight of 1598.75 g/mol, XLogP of 6.60, 28 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tetrasilver;azanide;1-[1,1-di(pyrazol-1-yl)-2-[[2,4,5-tris[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole is sourced from PubChem (CID 22834449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).