bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)

C78H60Ir2N6 — CID 159285657

IUPACbis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)
SMILES[Ir].[Ir].c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2nccc3ccccc23)cc1.c1ccc(-c2nccc3ccccc23)cc1.c1ccc(-c2nccc3ccccc23)cc1
InChIInChI=1S/3C15H11N.3C11H9N.2Ir/c3*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h3*1-11H;3*1-9H;;
InChIKeyKZLZOUYFHSPBAB-UHFFFAOYSA-N
MW1465.81 g/mol
LogP19.95
Rot. Bonds6

About bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)

bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine) (PubChem CID 159285657) has the molecular formula C78H60Ir2N6 and a molecular weight of 1465.81 g/mol. Its IUPAC name is bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine).

Molecular Properties

Compound Namebis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)
PubChem CID159285657
Molecular FormulaC78H60Ir2N6
Molecular Weight1465.81 g/mol
Exact Mass1466.41
IUPAC Namebis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)
SMILES[Ir].[Ir].c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2nccc3ccccc23)cc1.c1ccc(-c2nccc3ccccc23)cc1.c1ccc(-c2nccc3ccccc23)cc1
InChIInChI=1S/3C15H11N.3C11H9N.2Ir/c3*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h3*1-11H;3*1-9H;;
InChIKeyKZLZOUYFHSPBAB-UHFFFAOYSA-N
XLogP19.95
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001465.81
LogP ≤ 519.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-pyridin-2-ylphenyl)isoquinoline
CID 58947156
carbanide;iridium;1-phenylisoquinoline
CID 166502152
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline
CID 153458153
1-[3-(4,6-diphenylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582444
1-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]isoquinoline;1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]isoquinoline;4-naphthalen-2-yl-6-phenanthren-9-yl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 162204163
1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 58462262
4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline
CID 160580217
hydrazine;2-phenylpyridine
CID 158673997
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582323
1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]isoquinoline
CID 90401606
1-[4-[3-(4-isoquinolin-1-ylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]isoquinoline
CID 163990353
4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline
CID 158472382

Frequently Asked Questions

What is the IUPAC name of bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)?
The IUPAC name of bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine) (CID 159285657) is bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine).
What is the SMILES notation for bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)?
The canonical SMILES for bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine) is [Ir].[Ir].c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2nccc3ccccc23)cc1.c1ccc(-c2nccc3ccccc23)cc1.c1ccc(-c2nccc3ccccc23)cc1.
What is the InChIKey of bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)?
The InChIKey is KZLZOUYFHSPBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H11N.3C11H9N.2Ir/c3*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h3*1-11H;3*1-9H;;.
What are the key properties of bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)?
bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine) has a molecular weight of 1465.81 g/mol, XLogP of 19.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine) is sourced from PubChem (CID 159285657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).