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

C61H43N6O4Ru+ — CID 155747310

IUPAC2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;ruthenium
SMILESC[n+]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C25H19N2.C24H16N2.C12H8N2O4.Ru/c1-27-17-15-21(19-10-6-3-7-11-19)23-13-12-22-20(18-8-4-2-5-9-18)14-16-26-24(22)25(23)27;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;/h2-17H,1H3;1-16H;1-6H,(H,15,16)(H,17,18);/q+1;;;
InChIKeyXOEAMERVESMNPQ-UHFFFAOYSA-N
MW1025.12 g/mol
LogP13.20
Rot. Bonds7

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

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;ruthenium (PubChem CID 155747310) has the molecular formula C61H43N6O4Ru+ and a molecular weight of 1025.12 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;ruthenium.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;ruthenium
PubChem CID155747310
Molecular FormulaC61H43N6O4Ru+
Molecular Weight1025.12 g/mol
Exact Mass1025.24
IUPAC Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;ruthenium
SMILESC[n+]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C25H19N2.C24H16N2.C12H8N2O4.Ru/c1-27-17-15-21(19-10-6-3-7-11-19)23-13-12-22-20(18-8-4-2-5-9-18)14-16-26-24(22)25(23)27;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;/h2-17H,1H3;1-16H;1-6H,(H,15,16)(H,17,18);/q+1;;;
InChIKeyXOEAMERVESMNPQ-UHFFFAOYSA-N
XLogP13.20
TPSA142.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.12
LogP ≤ 513.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-[[6-[1-[(3-Carboxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682141
3-[[6-[1-[(4-Phenylphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682150
1,10-Phenanthroline-4,7-dicarboxylic acid
CID 12011615
Iron(III) tris-(1,10-phenanthrolinate)
CID 129761151
Vanadium phenanthrolinate
CID 129794847
Ruthenium phenanthrolinate
CID 129801043
Cobalt(II) phenanthroline-benzoate
CID 129865376
Bis(1,10-phenanthroline-kappa^2^N,N')platinum(II) bis(3-carboxybenzenesulfonate) dihydrate
CID 139048094
Bis[copper(I)-di-1,10-phenanthroline)]terephthalate bisperchlorate
CID 139057769
Tetrakis(mu-anthracene-9-carboxylato)-kappa^4^O:O';kappa^3^O,O':O';kappa^3^O:O,O'-bis[(anthracene-9-carboxylato-kappa^2^O,O')(1,10-phenanthroline-kappa^2^N,N')erbium(III)]
CID 139060480
Tris(1,10-phenanthroline-kappa^2^N,N')iron(II) bis(2,4,5-tricarboxybenzoate) monohydrate
CID 139061391
Tetra-mu-benzoato-O:O'-bis[(benzoato-O,O')(1,10-phenanthroline-N,N')-lanthanum(III)]
CID 139064772

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;ruthenium?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;ruthenium (CID 155747310) is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;ruthenium.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;ruthenium?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;ruthenium is C[n+]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;ruthenium?
The InChIKey is XOEAMERVESMNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N2.C24H16N2.C12H8N2O4.Ru/c1-27-17-15-21(19-10-6-3-7-11-19)23-13-12-22-20(18-8-4-2-5-9-18)14-16-26-24(22)25(23)27;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;/h2-17H,1H3;1-16H;1-6H,(H,15,16)(H,17,18);/q+1;;;.
What are the key properties of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;ruthenium?
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;ruthenium has a molecular weight of 1025.12 g/mol, XLogP of 13.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;ruthenium is sourced from PubChem (CID 155747310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).