4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate

C61H50F12N6O2P2Ru — CID 139138869

IUPAC4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate
SMILESCOc1ccc(-c2cccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)c2)cc1.COc1ccc(-c2cnc3c(ccc4ccc(-c5c(C)cc(C)cc5C)nc43)c2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccncc1
InChIInChI=1S/C28H21N3O.C28H24N2O.C5H5N.2F6P.Ru/c1-32-24-13-11-20(12-14-24)21-7-6-8-22(17-21)23-18-27(25-9-2-4-15-29-25)31-28(19-23)26-10-3-5-16-30-26;1-17-13-18(2)26(19(3)14-17)25-12-9-21-5-6-22-15-23(16-29-27(22)28(21)30-25)20-7-10-24(31-4)11-8-20;1-2-4-6-5-3-1;2*1-7(2,3,4,5)6;/h2-19H,1H3;5-16H,1-4H3;1-5H;;;/q;;;2*-1;+2
InChIKeyLSCNNTIPZCVIQC-UHFFFAOYSA-N
MW1290.10 g/mol
LogP21.44
Rot. Bonds8

About 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate

4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate (PubChem CID 139138869) has the molecular formula C61H50F12N6O2P2Ru and a molecular weight of 1290.10 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate
PubChem CID139138869
Molecular FormulaC61H50F12N6O2P2Ru
Molecular Weight1290.10 g/mol
Exact Mass1290.23
IUPAC Name4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate
SMILESCOc1ccc(-c2cccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)c2)cc1.COc1ccc(-c2cnc3c(ccc4ccc(-c5c(C)cc(C)cc5C)nc43)c2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccncc1
InChIInChI=1S/C28H21N3O.C28H24N2O.C5H5N.2F6P.Ru/c1-32-24-13-11-20(12-14-24)21-7-6-8-22(17-21)23-18-27(25-9-2-4-15-29-25)31-28(19-23)26-10-3-5-16-30-26;1-17-13-18(2)26(19(3)14-17)25-12-9-21-5-6-22-15-23(16-29-27(22)28(21)30-25)20-7-10-24(31-4)11-8-20;1-2-4-6-5-3-1;2*1-7(2,3,4,5)6;/h2-19H,1H3;5-16H,1-4H3;1-5H;;;/q;;;2*-1;+2
InChIKeyLSCNNTIPZCVIQC-UHFFFAOYSA-N
XLogP21.44
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001290.10
LogP ≤ 521.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate with MolForge

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Related Compounds

N,N-dimethyl-3-[4-(1,10-phenanthrolin-4-yl)butoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5289251
4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 139095340
8,13-Bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;3-[5-naphthalen-2-yl-6,11-diphenyl-8-(1-phenylindol-3-yl)benzo[a]tetracen-13-yl]-1-phenylindole;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine
CID 160087852
bis(4,7-diphenyl-1,10-phenanthroline);(2E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-ylidene]acetonitrile;ruthenium
CID 172280611
N,N-dimethyl-3-[5-(1,10-phenanthrolin-4-yl)pentoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058672
N,N-dimethyl-3-[6-(1,10-phenanthrolin-4-yl)hexoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058674
N,N-dimethyl-3-[7-(1,10-phenanthrolin-4-yl)heptoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058676
N,N-dimethyl-3-[9-(1,10-phenanthrolin-4-yl)nonoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058678
N,N-dimethyl-3-[11-(1,10-phenanthrolin-4-yl)undecoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058680
8-(4-Methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline
CID 102476845
4-(3-Pyridinyl)-7-(4-methoxy)-2,1,3-benzothiazole
CID 139043299
Tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))
CID 139044461

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate?
The IUPAC name of 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate (CID 139138869) is 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate is COc1ccc(-c2cccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)c2)cc1.COc1ccc(-c2cnc3c(ccc4ccc(-c5c(C)cc(C)cc5C)nc43)c2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccncc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate?
The InChIKey is LSCNNTIPZCVIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O.C28H24N2O.C5H5N.2F6P.Ru/c1-32-24-13-11-20(12-14-24)21-7-6-8-22(17-21)23-18-27(25-9-2-4-15-29-25)31-28(19-23)26-10-3-5-16-30-26;1-17-13-18(2)26(19(3)14-17)25-12-9-21-5-6-22-15-23(16-29-27(22)28(21)30-25)20-7-10-24(31-4)11-8-20;1-2-4-6-5-3-1;2*1-7(2,3,4,5)6;/h2-19H,1H3;5-16H,1-4H3;1-5H;;;/q;;;2*-1;+2.
What are the key properties of 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate?
4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate has a molecular weight of 1290.10 g/mol, XLogP of 21.44, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine;8-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1,10-phenanthroline;pyridine;ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139138869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).