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

C34H32N6O4 — CID 67748354

IUPACbis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyridin-2-ylpyridine
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C12H12N2O2.C10H8N2/c2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10/h2*3-8H,1-2H3;1-8H
InChIKeyVHDPYGNPSYEXJZ-UHFFFAOYSA-N
MW588.67 g/mol
LogP6.47
Rot. Bonds7

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

bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyridin-2-ylpyridine (PubChem CID 67748354) has the molecular formula C34H32N6O4 and a molecular weight of 588.67 g/mol. Its IUPAC name is bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namebis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyridin-2-ylpyridine
PubChem CID67748354
Molecular FormulaC34H32N6O4
Molecular Weight588.67 g/mol
Exact Mass588.25
IUPAC Namebis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyridin-2-ylpyridine
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C12H12N2O2.C10H8N2/c2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10/h2*3-8H,1-2H3;1-8H
InChIKeyVHDPYGNPSYEXJZ-UHFFFAOYSA-N
XLogP6.47
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

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CID 2733927
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CID 159917
CID 159917
CID 135478684
CID 135478684
CID 13586798
CID 13586798
CID 16128661
CID 16128661
CID 162646387
CID 162646387
CID 11013075
CID 11013075
CID 11077609
CID 11077609
CID 21259177
CID 21259177
CID 24878702
CID 24878702
CID 172011955
CID 172011955

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyridin-2-ylpyridine?
The IUPAC name of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyridin-2-ylpyridine (CID 67748354) is bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyridin-2-ylpyridine.
What is the SMILES notation for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyridin-2-ylpyridine?
The canonical SMILES for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyridin-2-ylpyridine is COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyridin-2-ylpyridine?
The InChIKey is VHDPYGNPSYEXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12N2O2.C10H8N2/c2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10/h2*3-8H,1-2H3;1-8H.
What are the key properties of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyridin-2-ylpyridine?
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);2-pyridin-2-ylpyridine has a molecular weight of 588.67 g/mol, XLogP of 6.47, 7 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);2-pyridin-2-ylpyridine is sourced from PubChem (CID 67748354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).