disilver;tetrakis(pyridin-4-amine);terephthalate;decahydrate

C28H48Ag2N8O14 — CID 139068723

IUPACdisilver;tetrakis(pyridin-4-amine);terephthalate;decahydrate
SMILESNc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.O.O.O.O.O.O.O.O.O.O.O=C([O-])c1ccc(C(=O)[O-])cc1.[Ag+].[Ag+]
InChIInChI=1S/C8H6O4.4C5H6N2.2Ag.10H2O/c9-7(10)5-1-2-6(4-3-5)8(11)12;4*6-5-1-3-7-4-2-5;;;;;;;;;;;;/h1-4H,(H,9,10)(H,11,12);4*1-4H,(H2,6,7);;;10*1H2/q;;;;;2*+1;;;;;;;;;;/p-2
InChIKeyPHJGOTCPCJJEEN-UHFFFAOYSA-L
MW936.47 g/mol
LogP-7.18
Rot. Bonds2

About disilver;tetrakis(pyridin-4-amine);terephthalate;decahydrate

disilver;tetrakis(pyridin-4-amine);terephthalate;decahydrate (PubChem CID 139068723) has the molecular formula C28H48Ag2N8O14 and a molecular weight of 936.47 g/mol. Its IUPAC name is disilver;tetrakis(pyridin-4-amine);terephthalate;decahydrate.

Molecular Properties

Compound Namedisilver;tetrakis(pyridin-4-amine);terephthalate;decahydrate
PubChem CID139068723
Molecular FormulaC28H48Ag2N8O14
Molecular Weight936.47 g/mol
Exact Mass934.14
IUPAC Namedisilver;tetrakis(pyridin-4-amine);terephthalate;decahydrate
SMILESNc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.O.O.O.O.O.O.O.O.O.O.O=C([O-])c1ccc(C(=O)[O-])cc1.[Ag+].[Ag+]
InChIInChI=1S/C8H6O4.4C5H6N2.2Ag.10H2O/c9-7(10)5-1-2-6(4-3-5)8(11)12;4*6-5-1-3-7-4-2-5;;;;;;;;;;;;/h1-4H,(H,9,10)(H,11,12);4*1-4H,(H2,6,7);;;10*1H2/q;;;;;2*+1;;;;;;;;;;/p-2
InChIKeyPHJGOTCPCJJEEN-UHFFFAOYSA-L
XLogP-7.18
TPSA550.90 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.47
LogP ≤ 5-7.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

4-Aminopyridinium 4-aminobenzoate dihydrate
CID 139060701
4-([4,2':6',4''-Terpyridin]-4'-yl)benzoic acid
CID 102289736
Benzoic acid;manganese;tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 15377128
Pyridinium acetate butyrate chloride formate benzoate acetate
CID 129822100
5-(3,5-Dicarboxyphenyl)benzene-1,3-dicarboxylic acid;bis(4-(2-pyridin-4-ylethyl)pyridine)
CID 139051405
Benzene-1,3-dicarboxylic acid-4-methylpyridine (1/2)
CID 139059701
Tetrakis(4-aminopyridinium) perylene-3,4,9,10-tetracarboxylate octahydrate
CID 139061855
Benzene-1,2,4,5-tetracarboxylic acid;bis(4-pyridin-4-ylpyridine)
CID 139063824
(mu-Biphenyl-4,4'-dicarboxylato)bis[(2-aminopyridine)silver(I)]
CID 139067240
Dicopper;tetrakis(4-cyanobenzoate);tetrakis(pyridin-3-amine)
CID 139069068
Di-mu-benzoato-bis[benzoatodipyridinemanganese(II)]
CID 139070751
Tetrakis(mu-4-methylbenzoato-kappaO:O')bis{[4-(dimethylamino)pyridine-kappaN^1^]zinc(II)}
CID 139077026

Frequently Asked Questions

What is the IUPAC name of disilver;tetrakis(pyridin-4-amine);terephthalate;decahydrate?
The IUPAC name of disilver;tetrakis(pyridin-4-amine);terephthalate;decahydrate (CID 139068723) is disilver;tetrakis(pyridin-4-amine);terephthalate;decahydrate.
What is the SMILES notation for disilver;tetrakis(pyridin-4-amine);terephthalate;decahydrate?
The canonical SMILES for disilver;tetrakis(pyridin-4-amine);terephthalate;decahydrate is Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.O.O.O.O.O.O.O.O.O.O.O=C([O-])c1ccc(C(=O)[O-])cc1.[Ag+].[Ag+].
What is the InChIKey of disilver;tetrakis(pyridin-4-amine);terephthalate;decahydrate?
The InChIKey is PHJGOTCPCJJEEN-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6O4.4C5H6N2.2Ag.10H2O/c9-7(10)5-1-2-6(4-3-5)8(11)12;4*6-5-1-3-7-4-2-5;;;;;;;;;;;;/h1-4H,(H,9,10)(H,11,12);4*1-4H,(H2,6,7);;;10*1H2/q;;;;;2*+1;;;;;;;;;;/p-2.
What are the key properties of disilver;tetrakis(pyridin-4-amine);terephthalate;decahydrate?
disilver;tetrakis(pyridin-4-amine);terephthalate;decahydrate has a molecular weight of 936.47 g/mol, XLogP of -7.18, 2 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;tetrakis(pyridin-4-amine);terephthalate;decahydrate is sourced from PubChem (CID 139068723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).