disilver;bis(2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine);bis(6-(5-phenyl-1H-pyrazol-3-yl)pyridine-2-carboxylate)

C76H54Ag2N16O4 — CID 139150446

IUPACdisilver;bis(2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine);bis(6-(5-phenyl-1H-pyrazol-3-yl)pyridine-2-carboxylate)
SMILESO=C([O-])c1cccc(-c2cc(-c3ccccc3)[nH]n2)n1.O=C([O-])c1cccc(-c2cc(-c3ccccc3)[nH]n2)n1.[Ag+].[Ag+].c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n[nH]4)n3)[nH]n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n[nH]4)n3)[nH]n2)cc1
InChIInChI=1S/2C23H17N5.2C15H11N3O2.2Ag/c2*1-3-8-16(9-4-1)20-14-22(27-25-20)18-12-7-13-19(24-18)23-15-21(26-28-23)17-10-5-2-6-11-17;2*19-15(20)12-8-4-7-11(16-12)14-9-13(17-18-14)10-5-2-1-3-6-10;;/h2*1-15H,(H,25,27)(H,26,28);2*1-9H,(H,17,18)(H,19,20);;/q;;;;2*+1/p-2
InChIKeyQRKHCXCRIGJGTH-UHFFFAOYSA-L
MW1471.11 g/mol
LogP13.39
Rot. Bonds14

About disilver;bis(2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine);bis(6-(5-phenyl-1H-pyrazol-3-yl)pyridine-2-carboxylate)

disilver;bis(2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine);bis(6-(5-phenyl-1H-pyrazol-3-yl)pyridine-2-carboxylate) (PubChem CID 139150446) has the molecular formula C76H54Ag2N16O4 and a molecular weight of 1471.11 g/mol. Its IUPAC name is disilver;bis(2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine);bis(6-(5-phenyl-1H-pyrazol-3-yl)pyridine-2-carboxylate).

Molecular Properties

Compound Namedisilver;bis(2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine);bis(6-(5-phenyl-1H-pyrazol-3-yl)pyridine-2-carboxylate)
PubChem CID139150446
Molecular FormulaC76H54Ag2N16O4
Molecular Weight1471.11 g/mol
Exact Mass1468.26
IUPAC Namedisilver;bis(2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine);bis(6-(5-phenyl-1H-pyrazol-3-yl)pyridine-2-carboxylate)
SMILESO=C([O-])c1cccc(-c2cc(-c3ccccc3)[nH]n2)n1.O=C([O-])c1cccc(-c2cc(-c3ccccc3)[nH]n2)n1.[Ag+].[Ag+].c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n[nH]4)n3)[nH]n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n[nH]4)n3)[nH]n2)cc1
InChIInChI=1S/2C23H17N5.2C15H11N3O2.2Ag/c2*1-3-8-16(9-4-1)20-14-22(27-25-20)18-12-7-13-19(24-18)23-15-21(26-28-23)17-10-5-2-6-11-17;2*19-15(20)12-8-4-7-11(16-12)14-9-13(17-18-14)10-5-2-1-3-6-10;;/h2*1-15H,(H,25,27)(H,26,28);2*1-9H,(H,17,18)(H,19,20);;/q;;;;2*+1/p-2
InChIKeyQRKHCXCRIGJGTH-UHFFFAOYSA-L
XLogP13.39
TPSA303.90 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001471.11
LogP ≤ 513.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of disilver;bis(2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine);bis(6-(5-phenyl-1H-pyrazol-3-yl)pyridine-2-carboxylate)?
The IUPAC name of disilver;bis(2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine);bis(6-(5-phenyl-1H-pyrazol-3-yl)pyridine-2-carboxylate) (CID 139150446) is disilver;bis(2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine);bis(6-(5-phenyl-1H-pyrazol-3-yl)pyridine-2-carboxylate).
What is the SMILES notation for disilver;bis(2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine);bis(6-(5-phenyl-1H-pyrazol-3-yl)pyridine-2-carboxylate)?
The canonical SMILES for disilver;bis(2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine);bis(6-(5-phenyl-1H-pyrazol-3-yl)pyridine-2-carboxylate) is O=C([O-])c1cccc(-c2cc(-c3ccccc3)[nH]n2)n1.O=C([O-])c1cccc(-c2cc(-c3ccccc3)[nH]n2)n1.[Ag+].[Ag+].c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n[nH]4)n3)[nH]n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n[nH]4)n3)[nH]n2)cc1.
What is the InChIKey of disilver;bis(2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine);bis(6-(5-phenyl-1H-pyrazol-3-yl)pyridine-2-carboxylate)?
The InChIKey is QRKHCXCRIGJGTH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C23H17N5.2C15H11N3O2.2Ag/c2*1-3-8-16(9-4-1)20-14-22(27-25-20)18-12-7-13-19(24-18)23-15-21(26-28-23)17-10-5-2-6-11-17;2*19-15(20)12-8-4-7-11(16-12)14-9-13(17-18-14)10-5-2-1-3-6-10;;/h2*1-15H,(H,25,27)(H,26,28);2*1-9H,(H,17,18)(H,19,20);;/q;;;;2*+1/p-2.
What are the key properties of disilver;bis(2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine);bis(6-(5-phenyl-1H-pyrazol-3-yl)pyridine-2-carboxylate)?
disilver;bis(2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine);bis(6-(5-phenyl-1H-pyrazol-3-yl)pyridine-2-carboxylate) has a molecular weight of 1471.11 g/mol, XLogP of 13.39, 14 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine);bis(6-(5-phenyl-1H-pyrazol-3-yl)pyridine-2-carboxylate) is sourced from PubChem (CID 139150446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).