2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane

C120H116F2Ir4N10OSi4-8 — CID 159584452

IUPAC2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane
SMILESCc1[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc(C)c1.Cc1c[c-]c(-c2ccccn2)c(C)n1.Cc1cc(-c2[c-]cc3ccccc3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3ccccc3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc(Oc3ccccc3)c2)ncc1[Si](C)(C)C.Fc1c[c-]c(-c2ccccn2)c(F)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C21H22NOSi.2C19H20NSi.C17H22NSi.C12H11N2.2C11H8N.C10H5F2N2.4Ir/c1-16-13-20(22-15-21(16)24(2,3)4)17-9-8-12-19(14-17)23-18-10-6-5-7-11-18;2*1-14-11-18(20-13-19(14)21(2,3)4)17-10-9-15-7-5-6-8-16(15)12-17;1-12-7-13(2)9-15(8-12)16-10-14(3)17(11-18-16)19(4,5)6;1-9-6-7-11(10(2)14-9)12-5-3-4-8-13-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;;;;/h5-8,10-15H,1-4H3;2*5-9,11-13H,1-4H3;7-8,10-11H,1-6H3;3-6,8H,1-2H3;2*1-6,8-9H;1-3,5-6H;;;;/q8*-1;;;;
InChIKeyJRVPMRBPVKIJDB-UHFFFAOYSA-N
MW2633.52 g/mol
LogP28.20
Rot. Bonds14

About 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane

2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane (PubChem CID 159584452) has the molecular formula C120H116F2Ir4N10OSi4-8 and a molecular weight of 2633.52 g/mol. Its IUPAC name is 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

Compound Name2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane
PubChem CID159584452
Molecular FormulaC120H116F2Ir4N10OSi4-8
Molecular Weight2633.52 g/mol
Exact Mass2634.69
IUPAC Name2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane
SMILESCc1[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc(C)c1.Cc1c[c-]c(-c2ccccn2)c(C)n1.Cc1cc(-c2[c-]cc3ccccc3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3ccccc3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc(Oc3ccccc3)c2)ncc1[Si](C)(C)C.Fc1c[c-]c(-c2ccccn2)c(F)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C21H22NOSi.2C19H20NSi.C17H22NSi.C12H11N2.2C11H8N.C10H5F2N2.4Ir/c1-16-13-20(22-15-21(16)24(2,3)4)17-9-8-12-19(14-17)23-18-10-6-5-7-11-18;2*1-14-11-18(20-13-19(14)21(2,3)4)17-10-9-15-7-5-6-8-16(15)12-17;1-12-7-13(2)9-15(8-12)16-10-14(3)17(11-18-16)19(4,5)6;1-9-6-7-11(10(2)14-9)12-5-3-4-8-13-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;;;;/h5-8,10-15H,1-4H3;2*5-9,11-13H,1-4H3;7-8,10-11H,1-6H3;3-6,8H,1-2H3;2*1-6,8-9H;1-3,5-6H;;;;/q8*-1;;;;
InChIKeyJRVPMRBPVKIJDB-UHFFFAOYSA-N
XLogP28.20
TPSA138.13 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002633.52
LogP ≤ 528.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane with MolForge

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Related Compounds

2-(3,5-Dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 157855396
Tris(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 158147070
2-[2,4-Difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline
CID 158198908
Tris(2-(4-fluorobenzene-6-id-1-yl)pyridine);tetrakis(iridium);tris(1-(4-phenoxybenzene-6-id-1-yl)isoquinoline);tris(2-phenyl-5-(trifluoromethyl)pyridine);tris(2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine)
CID 158520058
2-methyl-6-[3-[5-methyl-5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzosilol-4-id-3-yl]benzene-2-id-1-yl]oxypyridine;4-methyl-2-[5-methyl-3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b][1]benzosilol-4-id-5-yl]pyridine;2-[3-[5-methyl-5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzosilol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;2-[3-[5-methyl-5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzosilol-4-id-3-yl]benzene-2-id-1-yl]oxy-4-(trifluoromethyl)pyridine;tetrakis(platinum(2+))
CID 159171202
Tetrakis(iridium);bis(5-(2-methoxyphenyl)-2-phenylpyridine);5-(2-methylphenyl)-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 160131122
2-(3,5-Dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;tetrakis(iridium);3-methyl-2-phenylpyridine;2-phenyl-5-[2-(trifluoromethoxy)phenyl]pyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine;2-phenyl-5-[2-(trifluoromethyl)phenyl]pyridine
CID 160159589
2-(3,5-Dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);3-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 160386373
2-(3,5-Dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;fluoroform;tetrakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 160925348
Fluoroform;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 160985118
2-(2,4-Dimethylbenzene-6-id-1-yl)-5-phenylpyridine;5-(2,6-dimethylphenyl)-2-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 161237974
9H-anthracen-9-ide;benzene;chloroplatinum(1+);4-(4-methoxyphenyl)-2-phenyl-6-pyridin-2-ylpyridine;2-phenyl-6-pyridin-2-ylpyridine;2-phenyl-6-pyridin-2-yl-4-(2,4,6-trimethylphenyl)pyridine;tris(platinum(2+));2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 161414984

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane?
The IUPAC name of 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane (CID 159584452) is 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane.
What is the SMILES notation for 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane?
The canonical SMILES for 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane is Cc1[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc(C)c1.Cc1c[c-]c(-c2ccccn2)c(C)n1.Cc1cc(-c2[c-]cc3ccccc3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3ccccc3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc(Oc3ccccc3)c2)ncc1[Si](C)(C)C.Fc1c[c-]c(-c2ccccn2)c(F)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane?
The InChIKey is JRVPMRBPVKIJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22NOSi.2C19H20NSi.C17H22NSi.C12H11N2.2C11H8N.C10H5F2N2.4Ir/c1-16-13-20(22-15-21(16)24(2,3)4)17-9-8-12-19(14-17)23-18-10-6-5-7-11-18;2*1-14-11-18(20-13-19(14)21(2,3)4)17-10-9-15-7-5-6-8-16(15)12-17;1-12-7-13(2)9-15(8-12)16-10-14(3)17(11-18-16)19(4,5)6;1-9-6-7-11(10(2)14-9)12-5-3-4-8-13-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;;;;/h5-8,10-15H,1-4H3;2*5-9,11-13H,1-4H3;7-8,10-11H,1-6H3;3-6,8H,1-2H3;2*1-6,8-9H;1-3,5-6H;;;;/q8*-1;;;;.
What are the key properties of 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane?
2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane has a molecular weight of 2633.52 g/mol, XLogP of 28.20, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;[6-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylsilane;2,6-dimethyl-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);bis(2-phenylpyridine);bis(trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane);trimethyl-[4-methyl-6-(3-phenoxybenzene-6-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 159584452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).