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

C40H40N6O4 — CID 67748392

IUPACbis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-(4-prop-2-enyl-2-pyridinyl)pyridine
SMILESC=CCc1ccnc(-c2cc(CC=C)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1
InChIInChI=1S/C16H16N2.2C12H12N2O2/c1-3-5-13-7-9-17-15(11-13)16-12-14(6-4-2)8-10-18-16;2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h3-4,7-12H,1-2,5-6H2;2*3-8H,1-2H3
InChIKeyRSISWLHNVXKSOV-UHFFFAOYSA-N
MW668.80 g/mol
LogP7.92
Rot. Bonds11

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

bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-(4-prop-2-enyl-2-pyridinyl)pyridine (PubChem CID 67748392) has the molecular formula C40H40N6O4 and a molecular weight of 668.80 g/mol. Its IUPAC name is bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-(4-prop-2-enyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Namebis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-(4-prop-2-enyl-2-pyridinyl)pyridine
PubChem CID67748392
Molecular FormulaC40H40N6O4
Molecular Weight668.80 g/mol
Exact Mass668.31
IUPAC Namebis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-(4-prop-2-enyl-2-pyridinyl)pyridine
SMILESC=CCc1ccnc(-c2cc(CC=C)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1
InChIInChI=1S/C16H16N2.2C12H12N2O2/c1-3-5-13-7-9-17-15(11-13)16-12-14(6-4-2)8-10-18-16;2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h3-4,7-12H,1-2,5-6H2;2*3-8H,1-2H3
InChIKeyRSISWLHNVXKSOV-UHFFFAOYSA-N
XLogP7.92
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-(4-prop-2-enyl-2-pyridinyl)pyridine?
The IUPAC name of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-(4-prop-2-enyl-2-pyridinyl)pyridine (CID 67748392) is bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-(4-prop-2-enyl-2-pyridinyl)pyridine.
What is the SMILES notation for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-(4-prop-2-enyl-2-pyridinyl)pyridine?
The canonical SMILES for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-(4-prop-2-enyl-2-pyridinyl)pyridine is C=CCc1ccnc(-c2cc(CC=C)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.
What is the InChIKey of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-(4-prop-2-enyl-2-pyridinyl)pyridine?
The InChIKey is RSISWLHNVXKSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2.2C12H12N2O2/c1-3-5-13-7-9-17-15(11-13)16-12-14(6-4-2)8-10-18-16;2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h3-4,7-12H,1-2,5-6H2;2*3-8H,1-2H3.
What are the key properties of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-(4-prop-2-enyl-2-pyridinyl)pyridine?
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-(4-prop-2-enyl-2-pyridinyl)pyridine has a molecular weight of 668.80 g/mol, XLogP of 7.92, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-(4-prop-2-enyl-2-pyridinyl)pyridine is sourced from PubChem (CID 67748392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).