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)-3,5-dimethylaniline;ruthenium(2+);nitrate

C61H47N7O12RuS — CID 119057289

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)-3,5-dimethylaniline;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)-3,5-dimethylaniline;ruthenium(2+);nitrate (PubChem CID 119057289) has the molecular formula C61H47N7O12RuS and a molecular weight of 1203.22 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)-3,5-dimethylaniline;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)-3,5-dimethylaniline;ruthenium(2+);nitrate
• PubChem CID: 119057289
• Molecular Formula: C61H47N7O12RuS
• Molecular Weight: 1203.22 g/mol
• Exact Mass: 1203.20
• 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)-3,5-dimethylaniline;ruthenium(2+);nitrate
• SMILES: COc1[c-]c(-c2cc(-c3ccc(-c4c(C)cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4C)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/C43H36N3O3S.C18H11N3O6.NO3.Ru/c1-28-23-34(46(32-12-16-35(47-3)17-13-32)33-14-18-36(48-4)19-15-33)24-29(2)43(28)42-21-20-41(50-42)31-26-39(30-9-8-10-37(25-30)49-5)45-40(27-31)38-11-6-7-22-44-38;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;/h6-24,26-27H,1-5H3;1-8H,(H,22,23)(H,24,25)(H,26,27);;/q-1;;-1;+2
• InChIKey: GBQPMPQSNCHKJX-UHFFFAOYSA-N
• XLogP: 13.18
• TPSA: 273.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1203.22
LogP ≤ 5	13.18
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)-3,5-dimethylaniline;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)-3,5-dimethylaniline;ruthenium(2+);nitrate (CID 119057289) 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)-3,5-dimethylaniline;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)-3,5-dimethylaniline;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)-3,5-dimethylaniline;ruthenium(2+);nitrate is COc1[c-]c(-c2cc(-c3ccc(-c4c(C)cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4C)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)-3,5-dimethylaniline;ruthenium(2+);nitrate?

The InChIKey is GBQPMPQSNCHKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36N3O3S.C18H11N3O6.NO3.Ru/c1-28-23-34(46(32-12-16-35(47-3)17-13-32)33-14-18-36(48-4)19-15-33)24-29(2)43(28)42-21-20-41(50-42)31-26-39(30-9-8-10-37(25-30)49-5)45-40(27-31)38-11-6-7-22-44-38;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;/h6-24,26-27H,1-5H3;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)-3,5-dimethylaniline;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)-3,5-dimethylaniline;ruthenium(2+);nitrate has a molecular weight of 1203.22 g/mol, XLogP of 13.18, 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)-3,5-dimethylaniline;ruthenium(2+);nitrate is sourced from PubChem (CID 119057289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).