bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+)

C60H42N6O2Ru+2 — CID 11981047

About bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+)

bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+) (PubChem CID 11981047) has the molecular formula C60H42N6O2Ru+2 and a molecular weight of 980.11 g/mol. Its IUPAC name is bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+).

Molecular Properties

• Compound Name: bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+)
• PubChem CID: 11981047
• Molecular Formula: C60H42N6O2Ru+2
• Molecular Weight: 980.11 g/mol
• Exact Mass: 980.24
• IUPAC Name: bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+)
• SMILES: Cc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
• InChI: InChI=1S/2C24H16N2.C12H10N2O2.Ru/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11;/h2*1-16H;2-7H,1H3,(H,15,16);/q;;;+2
• InChIKey: XGVXIDRLRPDDRC-UHFFFAOYSA-N
• XLogP: 14.38
• TPSA: 114.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	980.11
LogP ≤ 5	14.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+)?

The IUPAC name of bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+) (CID 11981047) is bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+).

What is the SMILES notation for bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+)?

The canonical SMILES for bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+) is Cc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.

What is the InChIKey of bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+)?

The InChIKey is XGVXIDRLRPDDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16N2.C12H10N2O2.Ru/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11;/h2*1-16H;2-7H,1H3,(H,15,16);/q;;;+2.

What are the key properties of bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+)?

bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+) has a molecular weight of 980.11 g/mol, XLogP of 14.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+) is sourced from PubChem (CID 11981047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).