tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium

C36H36N6O6Os — CID 15678350

IUPACtris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.[Os]
InChIInChI=1S/3C12H12N2O2.Os/c3*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;/h3*3-8H,1-2H3;
InChIKeyIWYGFISAJFBJKK-UHFFFAOYSA-N
MW838.95 g/mol
LogP6.48
Rot. Bonds9

About tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium

tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium (PubChem CID 15678350) has the molecular formula C36H36N6O6Os and a molecular weight of 838.95 g/mol. Its IUPAC name is tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium.

Molecular Properties

Compound Nametris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium
PubChem CID15678350
Molecular FormulaC36H36N6O6Os
Molecular Weight838.95 g/mol
Exact Mass840.23
IUPAC Nametris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.[Os]
InChIInChI=1S/3C12H12N2O2.Os/c3*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;/h3*3-8H,1-2H3;
InChIKeyIWYGFISAJFBJKK-UHFFFAOYSA-N
XLogP6.48
TPSA132.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500838.95
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium?
The IUPAC name of tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium (CID 15678350) is tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium.
What is the SMILES notation for tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium?
The canonical SMILES for tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium is COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.[Os].
What is the InChIKey of tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium?
The InChIKey is IWYGFISAJFBJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H12N2O2.Os/c3*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;/h3*3-8H,1-2H3;.
What are the key properties of tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium?
tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium has a molecular weight of 838.95 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);osmium is sourced from PubChem (CID 15678350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).