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

C60H40N6O4Ru — CID 23530479

IUPAC2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/2C24H16N2.C12H8N2O4.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;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;/h2*1-16H;1-6H,(H,15,16)(H,17,18);
InChIKeyHDTXFOYLOYFMHA-UHFFFAOYSA-N
MW1010.09 g/mol
LogP13.77
Rot. Bonds7

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

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium (PubChem CID 23530479) has the molecular formula C60H40N6O4Ru and a molecular weight of 1010.09 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium
PubChem CID23530479
Molecular FormulaC60H40N6O4Ru
Molecular Weight1010.09 g/mol
Exact Mass1010.22
IUPAC Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/2C24H16N2.C12H8N2O4.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;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;/h2*1-16H;1-6H,(H,15,16)(H,17,18);
InChIKeyHDTXFOYLOYFMHA-UHFFFAOYSA-N
XLogP13.77
TPSA151.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.09
LogP ≤ 513.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium (CID 23530479) is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium is O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium?
The InChIKey is HDTXFOYLOYFMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16N2.C12H8N2O4.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;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;/h2*1-16H;1-6H,(H,15,16)(H,17,18);.
What are the key properties of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium?
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium has a molecular weight of 1010.09 g/mol, XLogP of 13.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium is sourced from PubChem (CID 23530479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).