2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium

C40H34N6ORu — CID 59005134

IUPAC2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESCOc1ccc(/C=C/c2ccnc(-c3cc(C)ccn3)c2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H18N2O.2C10H8N2.Ru/c1-15-9-11-21-19(13-15)20-14-17(10-12-22-20)4-3-16-5-7-18(23-2)8-6-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-14H,1-2H3;2*1-8H;/b4-3+;;;
InChIKeyQACPRNPEAQVFGN-FHJHGPAASA-N
MW715.82 g/mol
LogP8.92
Rot. Bonds6

About 2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium

2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 59005134) has the molecular formula C40H34N6ORu and a molecular weight of 715.82 g/mol. Its IUPAC name is 2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound Name2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID59005134
Molecular FormulaC40H34N6ORu
Molecular Weight715.82 g/mol
Exact Mass716.18
IUPAC Name2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESCOc1ccc(/C=C/c2ccnc(-c3cc(C)ccn3)c2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H18N2O.2C10H8N2.Ru/c1-15-9-11-21-19(13-15)20-14-17(10-12-22-20)4-3-16-5-7-18(23-2)8-6-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-14H,1-2H3;2*1-8H;/b4-3+;;;
InChIKeyQACPRNPEAQVFGN-FHJHGPAASA-N
XLogP8.92
TPSA86.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.82
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of 2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium (CID 59005134) is 2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for 2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for 2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium is COc1ccc(/C=C/c2ccnc(-c3cc(C)ccn3)c2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is QACPRNPEAQVFGN-FHJHGPAASA-N. The full InChI is InChI=1S/C20H18N2O.2C10H8N2.Ru/c1-15-9-11-21-19(13-15)20-14-17(10-12-22-20)4-3-16-5-7-18(23-2)8-6-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-14H,1-2H3;2*1-8H;/b4-3+;;;.
What are the key properties of 2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium?
2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 715.82 g/mol, XLogP of 8.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 59005134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).