4,7-dibromo-2,9-dipyridin-2-yl-1,10-phenanthroline

C22H12Br2N4 — CID 155602097

IUPAC4,7-dibromo-2,9-dipyridin-2-yl-1,10-phenanthroline
SMILESBrc1cc(-c2ccccn2)nc2c1ccc1c(Br)cc(-c3ccccn3)nc12
InChIInChI=1S/C22H12Br2N4/c23-15-11-19(17-5-1-3-9-25-17)27-21-13(15)7-8-14-16(24)12-20(28-22(14)21)18-6-2-4-10-26-18/h1-12H
InChIKeyDOKOCYUQAYPQBY-UHFFFAOYSA-N
MW492.17 g/mol
LogP6.43
Rot. Bonds2

About 4,7-dibromo-2,9-dipyridin-2-yl-1,10-phenanthroline

4,7-dibromo-2,9-dipyridin-2-yl-1,10-phenanthroline (PubChem CID 155602097) has the molecular formula C22H12Br2N4 and a molecular weight of 492.17 g/mol. Its IUPAC name is 4,7-dibromo-2,9-dipyridin-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-dibromo-2,9-dipyridin-2-yl-1,10-phenanthroline
PubChem CID155602097
Molecular FormulaC22H12Br2N4
Molecular Weight492.17 g/mol
Exact Mass489.94
IUPAC Name4,7-dibromo-2,9-dipyridin-2-yl-1,10-phenanthroline
SMILESBrc1cc(-c2ccccn2)nc2c1ccc1c(Br)cc(-c3ccccn3)nc12
InChIInChI=1S/C22H12Br2N4/c23-15-11-19(17-5-1-3-9-25-17)27-21-13(15)7-8-14-16(24)12-20(28-22(14)21)18-6-2-4-10-26-18/h1-12H
InChIKeyDOKOCYUQAYPQBY-UHFFFAOYSA-N
XLogP6.43
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.17
LogP ≤ 56.43
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

2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
5-pyridin-2-yl-6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8(13),9,11,14,16,18,20,22,24-tridecaene
CID 102037216
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
platinum(2+);6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;chloride
CID 71543302
3,8-dipyridin-2-yl-4,7-phenanthroline
CID 91243626
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140

Frequently Asked Questions

What is the IUPAC name of 4,7-dibromo-2,9-dipyridin-2-yl-1,10-phenanthroline?
The IUPAC name of 4,7-dibromo-2,9-dipyridin-2-yl-1,10-phenanthroline (CID 155602097) is 4,7-dibromo-2,9-dipyridin-2-yl-1,10-phenanthroline.
What is the SMILES notation for 4,7-dibromo-2,9-dipyridin-2-yl-1,10-phenanthroline?
The canonical SMILES for 4,7-dibromo-2,9-dipyridin-2-yl-1,10-phenanthroline is Brc1cc(-c2ccccn2)nc2c1ccc1c(Br)cc(-c3ccccn3)nc12.
What is the InChIKey of 4,7-dibromo-2,9-dipyridin-2-yl-1,10-phenanthroline?
The InChIKey is DOKOCYUQAYPQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Br2N4/c23-15-11-19(17-5-1-3-9-25-17)27-21-13(15)7-8-14-16(24)12-20(28-22(14)21)18-6-2-4-10-26-18/h1-12H.
What are the key properties of 4,7-dibromo-2,9-dipyridin-2-yl-1,10-phenanthroline?
4,7-dibromo-2,9-dipyridin-2-yl-1,10-phenanthroline has a molecular weight of 492.17 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dibromo-2,9-dipyridin-2-yl-1,10-phenanthroline is sourced from PubChem (CID 155602097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).