2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium)

C82H71F5Ir4N4O-4 — CID 161172250

IUPAC2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium)
SMILESCC(C)c1ccc(-c2[c-]cc(F)c(-c3ccccc3)c2F)nc1.COc1ccc(-c2[c-]ccc(-c3cccc(CC(C)(C)C)c3)c2)nc1.Cc1cc(C)nc(-c2[c-]ccc(-c3cccc(C(F)(F)F)c3)c2)c1.Cc1cc(C)nc(-c2[c-]ccc(-c3ccccc3)c2)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H24NO.C20H15F3N.C20H16F2N.C19H16N.4Ir/c1-23(2,3)15-17-7-5-8-18(13-17)19-9-6-10-20(14-19)22-12-11-21(25-4)16-24-22;1-13-9-14(2)24-19(10-13)17-7-3-5-15(11-17)16-6-4-8-18(12-16)20(21,22)23;1-13(2)15-8-11-18(23-12-15)16-9-10-17(21)19(20(16)22)14-6-4-3-5-7-14;1-14-11-15(2)20-19(12-14)18-10-6-9-17(13-18)16-7-4-3-5-8-16;;;;/h5-9,11-14,16H,15H2,1-4H3;3-6,8-12H,1-2H3;3-8,10-13H,1-2H3;3-9,11-13H,1-2H3;;;;/q4*-1;;;;
InChIKeyFWOHVGBKSCTCPK-UHFFFAOYSA-N
MW1992.35 g/mol
LogP22.10
Rot. Bonds11

About 2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium)

2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium) (PubChem CID 161172250) has the molecular formula C82H71F5Ir4N4O-4 and a molecular weight of 1992.35 g/mol. Its IUPAC name is 2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium).

Molecular Properties

Compound Name2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium)
PubChem CID161172250
Molecular FormulaC82H71F5Ir4N4O-4
Molecular Weight1992.35 g/mol
Exact Mass1994.41
IUPAC Name2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium)
SMILESCC(C)c1ccc(-c2[c-]cc(F)c(-c3ccccc3)c2F)nc1.COc1ccc(-c2[c-]ccc(-c3cccc(CC(C)(C)C)c3)c2)nc1.Cc1cc(C)nc(-c2[c-]ccc(-c3cccc(C(F)(F)F)c3)c2)c1.Cc1cc(C)nc(-c2[c-]ccc(-c3ccccc3)c2)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H24NO.C20H15F3N.C20H16F2N.C19H16N.4Ir/c1-23(2,3)15-17-7-5-8-18(13-17)19-9-6-10-20(14-19)22-12-11-21(25-4)16-24-22;1-13-9-14(2)24-19(10-13)17-7-3-5-15(11-17)16-6-4-8-18(12-16)20(21,22)23;1-13(2)15-8-11-18(23-12-15)16-9-10-17(21)19(20(16)22)14-6-4-3-5-7-14;1-14-11-15(2)20-19(12-14)18-10-6-9-17(13-18)16-7-4-3-5-8-16;;;;/h5-9,11-14,16H,15H2,1-4H3;3-6,8-12H,1-2H3;3-8,10-13H,1-2H3;3-9,11-13H,1-2H3;;;;/q4*-1;;;;
InChIKeyFWOHVGBKSCTCPK-UHFFFAOYSA-N
XLogP22.10
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001992.35
LogP ≤ 522.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium)?
The IUPAC name of 2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium) (CID 161172250) is 2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium).
What is the SMILES notation for 2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium)?
The canonical SMILES for 2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium) is CC(C)c1ccc(-c2[c-]cc(F)c(-c3ccccc3)c2F)nc1.COc1ccc(-c2[c-]ccc(-c3cccc(CC(C)(C)C)c3)c2)nc1.Cc1cc(C)nc(-c2[c-]ccc(-c3cccc(C(F)(F)F)c3)c2)c1.Cc1cc(C)nc(-c2[c-]ccc(-c3ccccc3)c2)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium)?
The InChIKey is FWOHVGBKSCTCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24NO.C20H15F3N.C20H16F2N.C19H16N.4Ir/c1-23(2,3)15-17-7-5-8-18(13-17)19-9-6-10-20(14-19)22-12-11-21(25-4)16-24-22;1-13-9-14(2)24-19(10-13)17-7-3-5-15(11-17)16-6-4-8-18(12-16)20(21,22)23;1-13(2)15-8-11-18(23-12-15)16-9-10-17(21)19(20(16)22)14-6-4-3-5-7-14;1-14-11-15(2)20-19(12-14)18-10-6-9-17(13-18)16-7-4-3-5-8-16;;;;/h5-9,11-14,16H,15H2,1-4H3;3-6,8-12H,1-2H3;3-8,10-13H,1-2H3;3-9,11-13H,1-2H3;;;;/q4*-1;;;;.
What are the key properties of 2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium)?
2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium) has a molecular weight of 1992.35 g/mol, XLogP of 22.10, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2,4-dimethyl-6-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[3-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]-5-methoxypyridine;2,4-dimethyl-6-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium) is sourced from PubChem (CID 161172250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).