disilver;2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylate;bis(1,10-phenanthroline)

C40H24Ag2N4O8 — CID 139079790

About disilver;2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylate;bis(1,10-phenanthroline)

disilver;2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylate;bis(1,10-phenanthroline) (PubChem CID 139079790) has the molecular formula C40H24Ag2N4O8 and a molecular weight of 904.39 g/mol. Its IUPAC name is disilver;2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylate;bis(1,10-phenanthroline).

Molecular Properties

• Compound Name: disilver;2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylate;bis(1,10-phenanthroline)
• PubChem CID: 139079790
• Molecular Formula: C40H24Ag2N4O8
• Molecular Weight: 904.39 g/mol
• Exact Mass: 901.97
• IUPAC Name: disilver;2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylate;bis(1,10-phenanthroline)
• SMILES: O=C([O-])c1cccc(C(=O)[O-])c1-c1c(C(=O)O)cccc1C(=O)O.[Ag+].[Ag+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C16H10O8.2C12H8N2.2Ag/c17-13(18)7-3-1-4-8(14(19)20)11(7)12-9(15(21)22)5-2-6-10(12)16(23)24;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);2*1-8H;;/q;;;2*+1/p-2
• InChIKey: KIYWNWZWFDUKPN-UHFFFAOYSA-L
• XLogP: 5.04
• TPSA: 206.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	904.39
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disilver;2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylate;bis(1,10-phenanthroline)?

The IUPAC name of disilver;2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylate;bis(1,10-phenanthroline) (CID 139079790) is disilver;2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylate;bis(1,10-phenanthroline).

What is the SMILES notation for disilver;2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylate;bis(1,10-phenanthroline)?

The canonical SMILES for disilver;2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylate;bis(1,10-phenanthroline) is O=C([O-])c1cccc(C(=O)[O-])c1-c1c(C(=O)O)cccc1C(=O)O.[Ag+].[Ag+].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of disilver;2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylate;bis(1,10-phenanthroline)?

The InChIKey is KIYWNWZWFDUKPN-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H10O8.2C12H8N2.2Ag/c17-13(18)7-3-1-4-8(14(19)20)11(7)12-9(15(21)22)5-2-6-10(12)16(23)24;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);2*1-8H;;/q;;;2*+1/p-2.

What are the key properties of disilver;2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylate;bis(1,10-phenanthroline)?

disilver;2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylate;bis(1,10-phenanthroline) has a molecular weight of 904.39 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for disilver;2-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylate;bis(1,10-phenanthroline) is sourced from PubChem (CID 139079790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).