4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-prop-2-enyl-2-pyridin-2-ylpyridine)

C38H36N6O2 — CID 67748387

IUPAC4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-prop-2-enyl-2-pyridin-2-ylpyridine)
SMILESC=CCc1ccnc(-c2ccccn2)c1.C=CCc1ccnc(-c2ccccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1
InChIInChI=1S/2C13H12N2.C12H12N2O2/c2*1-2-5-11-7-9-15-13(10-11)12-6-3-4-8-14-12;1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h2*2-4,6-10H,1,5H2;3-8H,1-2H3
InChIKeyZUNNELCNCJJQSV-UHFFFAOYSA-N
MW608.75 g/mol
LogP7.91
Rot. Bonds9

About 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-prop-2-enyl-2-pyridin-2-ylpyridine)

4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-prop-2-enyl-2-pyridin-2-ylpyridine) (PubChem CID 67748387) has the molecular formula C38H36N6O2 and a molecular weight of 608.75 g/mol. Its IUPAC name is 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-prop-2-enyl-2-pyridin-2-ylpyridine).

Molecular Properties

Compound Name4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-prop-2-enyl-2-pyridin-2-ylpyridine)
PubChem CID67748387
Molecular FormulaC38H36N6O2
Molecular Weight608.75 g/mol
Exact Mass608.29
IUPAC Name4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-prop-2-enyl-2-pyridin-2-ylpyridine)
SMILESC=CCc1ccnc(-c2ccccn2)c1.C=CCc1ccnc(-c2ccccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1
InChIInChI=1S/2C13H12N2.C12H12N2O2/c2*1-2-5-11-7-9-15-13(10-11)12-6-3-4-8-14-12;1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h2*2-4,6-10H,1,5H2;3-8H,1-2H3
InChIKeyZUNNELCNCJJQSV-UHFFFAOYSA-N
XLogP7.91
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.75
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-prop-2-enyl-2-pyridin-2-ylpyridine)?
The IUPAC name of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-prop-2-enyl-2-pyridin-2-ylpyridine) (CID 67748387) is 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-prop-2-enyl-2-pyridin-2-ylpyridine).
What is the SMILES notation for 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-prop-2-enyl-2-pyridin-2-ylpyridine)?
The canonical SMILES for 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-prop-2-enyl-2-pyridin-2-ylpyridine) is C=CCc1ccnc(-c2ccccn2)c1.C=CCc1ccnc(-c2ccccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.
What is the InChIKey of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-prop-2-enyl-2-pyridin-2-ylpyridine)?
The InChIKey is ZUNNELCNCJJQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12N2.C12H12N2O2/c2*1-2-5-11-7-9-15-13(10-11)12-6-3-4-8-14-12;1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h2*2-4,6-10H,1,5H2;3-8H,1-2H3.
What are the key properties of 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-prop-2-enyl-2-pyridin-2-ylpyridine)?
4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-prop-2-enyl-2-pyridin-2-ylpyridine) has a molecular weight of 608.75 g/mol, XLogP of 7.91, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-prop-2-enyl-2-pyridin-2-ylpyridine) is sourced from PubChem (CID 67748387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).