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

C61H45N6O2Ru+ — CID 155747309

IUPAC4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
SMILESC[n+]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21.Cc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C25H19N2.C24H16N2.C12H10N2O2.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;1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11;/h2-17H,1H3;1-16H;2-7H,1H3,(H,15,16);/q+1;;;
InChIKeyAZURZIVDOODUIL-UHFFFAOYSA-N
MW995.14 g/mol
LogP13.81
Rot. Bonds6

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

4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium (PubChem CID 155747309) has the molecular formula C61H45N6O2Ru+ and a molecular weight of 995.14 g/mol. Its IUPAC name is 4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium.

Molecular Properties

Compound Name4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
PubChem CID155747309
Molecular FormulaC61H45N6O2Ru+
Molecular Weight995.14 g/mol
Exact Mass995.26
IUPAC Name4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
SMILESC[n+]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21.Cc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C25H19N2.C24H16N2.C12H10N2O2.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;1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11;/h2-17H,1H3;1-16H;2-7H,1H3,(H,15,16);/q+1;;;
InChIKeyAZURZIVDOODUIL-UHFFFAOYSA-N
XLogP13.81
TPSA105.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.14
LogP ≤ 513.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

3-[[6-[1-[(4-Phenylphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682150
3-[[6-[1-[(3-Methylbenzotriazol-5-yl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682153
11-Carboxydipyrido[3,2-a:2',3'-c]phenazine
CID 11221079
1,10-Phenanthroline-4,7-dicarboxylic acid
CID 12011615
7-[[3-[3-Benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]-1-methylindole-3-carboxylic acid
CID 68978707
2-[1-[2-(4-Fluorophenyl)ethyl]-6-[[(4-fluorophenyl)methyl-methylamino]methyl]indol-2-yl]pyridine-4-carboxylic acid
CID 137516400
4-(4-Tert-butyl-2-fluorophenyl)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 168081367
4-(4-Tert-butylphenyl)-3-fluoropyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 168081891
4-(4-Tert-butylphenyl)-2-fluoropyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 168082358
Iron(III) tris-(1,10-phenanthrolinate)
CID 129761151
Vanadium phenanthrolinate
CID 129794847
Ruthenium phenanthrolinate
CID 129801043

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium?
The IUPAC name of 4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium (CID 155747309) is 4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium.
What is the SMILES notation for 4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium?
The canonical SMILES for 4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium is C[n+]1ccc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c21.Cc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium?
The InChIKey is AZURZIVDOODUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N2.C24H16N2.C12H10N2O2.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;1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11;/h2-17H,1H3;1-16H;2-7H,1H3,(H,15,16);/q+1;;;.
What are the key properties of 4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium?
4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium has a molecular weight of 995.14 g/mol, XLogP of 13.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-1,10-phenanthroline;1-methyl-4,7-diphenyl-1,10-phenanthrolin-1-ium;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium is sourced from PubChem (CID 155747309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).