4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium

C36H28N6Ru — CID 155747317

IUPAC4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium
SMILESCc1ccnc(-c2cc(C)ccn2)c1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C12H12N2.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h2*1-8H;3-8H,1-2H3;
InChIKeyAQXINLHWPFSOOM-UHFFFAOYSA-N
MW645.73 g/mol
LogP8.32
Rot. Bonds1

About 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium

4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium (PubChem CID 155747317) has the molecular formula C36H28N6Ru and a molecular weight of 645.73 g/mol. Its IUPAC name is 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium.

Molecular Properties

Compound Name4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium
PubChem CID155747317
Molecular FormulaC36H28N6Ru
Molecular Weight645.73 g/mol
Exact Mass646.14
IUPAC Name4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium
SMILESCc1ccnc(-c2cc(C)ccn2)c1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C12H12N2.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h2*1-8H;3-8H,1-2H3;
InChIKeyAQXINLHWPFSOOM-UHFFFAOYSA-N
XLogP8.32
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.73
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium?
The IUPAC name of 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium (CID 155747317) is 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium.
What is the SMILES notation for 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium?
The canonical SMILES for 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium is Cc1ccnc(-c2cc(C)ccn2)c1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium?
The InChIKey is AQXINLHWPFSOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.C12H12N2.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h2*1-8H;3-8H,1-2H3;.
What are the key properties of 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium?
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium has a molecular weight of 645.73 g/mol, XLogP of 8.32, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium is sourced from PubChem (CID 155747317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).