2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[5-[2-(3-methoxybenzene-2-id-1-yl)-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline;ruthenium(2+);nitrate

C59H43N7O12RuS — CID 119057293

About 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[5-[2-(3-methoxybenzene-2-id-1-yl)-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline;ruthenium(2+);nitrate

2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[5-[2-(3-methoxybenzene-2-id-1-yl)-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline;ruthenium(2+);nitrate (PubChem CID 119057293) has the molecular formula C59H43N7O12RuS and a molecular weight of 1175.17 g/mol. Its IUPAC name is 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[5-[2-(3-methoxybenzene-2-id-1-yl)-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline;ruthenium(2+);nitrate.

Molecular Properties

• Compound Name: 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[5-[2-(3-methoxybenzene-2-id-1-yl)-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline;ruthenium(2+);nitrate
• PubChem CID: 119057293
• Molecular Formula: C59H43N7O12RuS
• Molecular Weight: 1175.17 g/mol
• Exact Mass: 1175.17
• IUPAC Name: 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[5-[2-(3-methoxybenzene-2-id-1-yl)-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline;ruthenium(2+);nitrate
• SMILES: COc1[c-]c(-c2cc(-c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)s3)cc(-c3ccccn3)n2)ccc1.O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)ccn3)n2)c1.O=[N+]([O-])[O-].[Ru+2]
• InChI: InChI=1S/C41H32N3O3S.C18H11N3O6.NO3.Ru/c1-45-34-18-14-32(15-19-34)44(33-16-20-35(46-2)21-17-33)31-12-10-28(11-13-31)40-22-23-41(48-40)30-26-38(29-7-6-8-36(25-29)47-3)43-39(27-30)37-9-4-5-24-42-37;22-16(23)9-1-3-19-12(5-9)14-7-11(18(26)27)8-15(21-14)13-6-10(17(24)25)2-4-20-13;2-1(3)4;/h4-24,26-27H,1-3H3;1-8H,(H,22,23)(H,24,25)(H,26,27);;/q-1;;-1;+2
• InChIKey: YNDGBUDDWPXCLH-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 273.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1175.17
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[5-[2-(3-methoxybenzene-2-id-1-yl)-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline;ruthenium(2+);nitrate?

The IUPAC name of 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[5-[2-(3-methoxybenzene-2-id-1-yl)-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline;ruthenium(2+);nitrate (CID 119057293) is 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[5-[2-(3-methoxybenzene-2-id-1-yl)-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline;ruthenium(2+);nitrate.

What is the SMILES notation for 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[5-[2-(3-methoxybenzene-2-id-1-yl)-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline;ruthenium(2+);nitrate?

The canonical SMILES for 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[5-[2-(3-methoxybenzene-2-id-1-yl)-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline;ruthenium(2+);nitrate is COc1[c-]c(-c2cc(-c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)s3)cc(-c3ccccn3)n2)ccc1.O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)ccn3)n2)c1.O=[N+]([O-])[O-].[Ru+2].

What is the InChIKey of 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[5-[2-(3-methoxybenzene-2-id-1-yl)-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline;ruthenium(2+);nitrate?

The InChIKey is YNDGBUDDWPXCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N3O3S.C18H11N3O6.NO3.Ru/c1-45-34-18-14-32(15-19-34)44(33-16-20-35(46-2)21-17-33)31-12-10-28(11-13-31)40-22-23-41(48-40)30-26-38(29-7-6-8-36(25-29)47-3)43-39(27-30)37-9-4-5-24-42-37;22-16(23)9-1-3-19-12(5-9)14-7-11(18(26)27)8-15(21-14)13-6-10(17(24)25)2-4-20-13;2-1(3)4;/h4-24,26-27H,1-3H3;1-8H,(H,22,23)(H,24,25)(H,26,27);;/q-1;;-1;+2.

What are the key properties of 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[5-[2-(3-methoxybenzene-2-id-1-yl)-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline;ruthenium(2+);nitrate?

2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[5-[2-(3-methoxybenzene-2-id-1-yl)-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline;ruthenium(2+);nitrate has a molecular weight of 1175.17 g/mol, XLogP of 12.56, 15 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[5-[2-(3-methoxybenzene-2-id-1-yl)-6-pyridin-2-yl-4-pyridinyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline;ruthenium(2+);nitrate is sourced from PubChem (CID 119057293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).