tris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium

C66H48N6Ru — CID 15102794

IUPACtris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium
SMILES[Ru].c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1
InChIInChI=1S/3C22H16N2.Ru/c3*1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;/h3*1-16H;
InChIKeyDTYLHRWVXNJGBI-UHFFFAOYSA-N
MW1026.22 g/mol
LogP16.43
Rot. Bonds9

About tris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium

tris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium (PubChem CID 15102794) has the molecular formula C66H48N6Ru and a molecular weight of 1026.22 g/mol. Its IUPAC name is tris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium.

Molecular Properties

Compound Nametris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium
PubChem CID15102794
Molecular FormulaC66H48N6Ru
Molecular Weight1026.22 g/mol
Exact Mass1026.30
IUPAC Nametris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium
SMILES[Ru].c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1
InChIInChI=1S/3C22H16N2.Ru/c3*1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;/h3*1-16H;
InChIKeyDTYLHRWVXNJGBI-UHFFFAOYSA-N
XLogP16.43
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001026.22
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium?
The IUPAC name of tris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium (CID 15102794) is tris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium.
What is the SMILES notation for tris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium?
The canonical SMILES for tris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium is [Ru].c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.
What is the InChIKey of tris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium?
The InChIKey is DTYLHRWVXNJGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H16N2.Ru/c3*1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;/h3*1-16H;.
What are the key properties of tris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium?
tris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium has a molecular weight of 1026.22 g/mol, XLogP of 16.43, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine);ruthenium is sourced from PubChem (CID 15102794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).