iridium(3+);bis(2-pyridin-2-ylquinoline)

C28H20IrN4+3 — CID 175803396

IUPACiridium(3+);bis(2-pyridin-2-ylquinoline)
SMILES[Ir+3].c1ccc(-c2ccc3ccccc3n2)nc1.c1ccc(-c2ccc3ccccc3n2)nc1
InChIInChI=1S/2C14H10N2.Ir/c2*1-2-6-12-11(5-1)8-9-14(16-12)13-7-3-4-10-15-13;/h2*1-10H;/q;;+3
InChIKeySCEHGIONNOMEJC-UHFFFAOYSA-N
MW604.71 g/mol
LogP6.59
Rot. Bonds2

About iridium(3+);bis(2-pyridin-2-ylquinoline)

iridium(3+);bis(2-pyridin-2-ylquinoline) (PubChem CID 175803396) has the molecular formula C28H20IrN4+3 and a molecular weight of 604.71 g/mol. Its IUPAC name is iridium(3+);bis(2-pyridin-2-ylquinoline).

Molecular Properties

Compound Nameiridium(3+);bis(2-pyridin-2-ylquinoline)
PubChem CID175803396
Molecular FormulaC28H20IrN4+3
Molecular Weight604.71 g/mol
Exact Mass605.13
IUPAC Nameiridium(3+);bis(2-pyridin-2-ylquinoline)
SMILES[Ir+3].c1ccc(-c2ccc3ccccc3n2)nc1.c1ccc(-c2ccc3ccccc3n2)nc1
InChIInChI=1S/2C14H10N2.Ir/c2*1-2-6-12-11(5-1)8-9-14(16-12)13-7-3-4-10-15-13;/h2*1-10H;/q;;+3
InChIKeySCEHGIONNOMEJC-UHFFFAOYSA-N
XLogP6.59
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
CID 138986830
2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline
CID 59273786
3,8-dipyridin-2-yl-4,7-phenanthroline
CID 91243626
2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122427220
8-phenylquinoline;2-pyridin-2-ylquinoline
CID 143968866
5-pyridin-2-yl-2-quinolin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 102047638
2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 138986845
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
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

Frequently Asked Questions

What is the IUPAC name of iridium(3+);bis(2-pyridin-2-ylquinoline)?
The IUPAC name of iridium(3+);bis(2-pyridin-2-ylquinoline) (CID 175803396) is iridium(3+);bis(2-pyridin-2-ylquinoline).
What is the SMILES notation for iridium(3+);bis(2-pyridin-2-ylquinoline)?
The canonical SMILES for iridium(3+);bis(2-pyridin-2-ylquinoline) is [Ir+3].c1ccc(-c2ccc3ccccc3n2)nc1.c1ccc(-c2ccc3ccccc3n2)nc1.
What is the InChIKey of iridium(3+);bis(2-pyridin-2-ylquinoline)?
The InChIKey is SCEHGIONNOMEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10N2.Ir/c2*1-2-6-12-11(5-1)8-9-14(16-12)13-7-3-4-10-15-13;/h2*1-10H;/q;;+3.
What are the key properties of iridium(3+);bis(2-pyridin-2-ylquinoline)?
iridium(3+);bis(2-pyridin-2-ylquinoline) has a molecular weight of 604.71 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);bis(2-pyridin-2-ylquinoline) is sourced from PubChem (CID 175803396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).