3,8-dipyridin-2-yl-4,7-phenanthroline

C22H14N4 — CID 91243626

IUPAC3,8-dipyridin-2-yl-4,7-phenanthroline
SMILESc1ccc(-c2ccc3c(ccc4nc(-c5ccccn5)ccc43)n2)nc1
InChIInChI=1S/C22H14N4/c1-3-13-23-19(5-1)21-9-7-15-16-8-10-22(20-6-2-4-14-24-20)26-18(16)12-11-17(15)25-21/h1-14H
InChIKeyQTCFCKJFQWWEJK-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.91
Rot. Bonds2

About 3,8-dipyridin-2-yl-4,7-phenanthroline

3,8-dipyridin-2-yl-4,7-phenanthroline (PubChem CID 91243626) has the molecular formula C22H14N4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3,8-dipyridin-2-yl-4,7-phenanthroline.

Molecular Properties

Compound Name3,8-dipyridin-2-yl-4,7-phenanthroline
PubChem CID91243626
Molecular FormulaC22H14N4
Molecular Weight334.38 g/mol
Exact Mass334.12
IUPAC Name3,8-dipyridin-2-yl-4,7-phenanthroline
SMILESc1ccc(-c2ccc3c(ccc4nc(-c5ccccn5)ccc43)n2)nc1
InChIInChI=1S/C22H14N4/c1-3-13-23-19(5-1)21-9-7-15-16-8-10-22(20-6-2-4-14-24-20)26-18(16)12-11-17(15)25-21/h1-14H
InChIKeyQTCFCKJFQWWEJK-UHFFFAOYSA-N
XLogP4.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
platinum(2+);6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;chloride
CID 71543302
4-chloro-2-pyridin-2-ylquinoline
CID 24903559
pyrrolo[3,2-b]azepine
CID 66934182
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125

Frequently Asked Questions

What is the IUPAC name of 3,8-dipyridin-2-yl-4,7-phenanthroline?
The IUPAC name of 3,8-dipyridin-2-yl-4,7-phenanthroline (CID 91243626) is 3,8-dipyridin-2-yl-4,7-phenanthroline.
What is the SMILES notation for 3,8-dipyridin-2-yl-4,7-phenanthroline?
The canonical SMILES for 3,8-dipyridin-2-yl-4,7-phenanthroline is c1ccc(-c2ccc3c(ccc4nc(-c5ccccn5)ccc43)n2)nc1.
What is the InChIKey of 3,8-dipyridin-2-yl-4,7-phenanthroline?
The InChIKey is QTCFCKJFQWWEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4/c1-3-13-23-19(5-1)21-9-7-15-16-8-10-22(20-6-2-4-14-24-20)26-18(16)12-11-17(15)25-21/h1-14H.
What are the key properties of 3,8-dipyridin-2-yl-4,7-phenanthroline?
3,8-dipyridin-2-yl-4,7-phenanthroline has a molecular weight of 334.38 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dipyridin-2-yl-4,7-phenanthroline is sourced from PubChem (CID 91243626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).