2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid

C107H97F6Ir6N17O14P6-6 — CID 158855610

IUPAC2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid
SMILESCCOP(=O)(O)c1ccncn1.COP(=O)(O)c1ccccn1.CP(=O)(O)c1ccccn1.CP(=O)(O)c1ccncn1.CP(=O)(O)c1ncncn1.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.O=P(O)(c1ccccc1)c1ncccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccccc1Cc1ccccn1
InChIInChI=1S/C13H6F6N.2C12H10N.3C11H8N.C10H9N2O2P.C6H9N2O3P.C6H8NO3P.C6H8NO2P.C5H7N2O2P.C4H6N3O2P.6Ir/c14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;2*1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;13-15(14,9-5-2-1-3-6-9)10-11-7-4-8-12-10;1-2-11-12(9,10)6-3-4-7-5-8-6;1-10-11(8,9)6-4-2-3-5-7-6;1-10(8,9)6-4-2-3-5-7-6;1-10(8,9)5-2-3-6-4-7-5;1-10(8,9)4-6-2-5-3-7-4;;;;;;/h1-5,7H;2*1-6,8-9H,10H2;3*1-6,8-9H;1-8H,(H,13,14);3-5H,2H2,1H3,(H,9,10);2-5H,1H3,(H,8,9);2-5H,1H3,(H,8,9);2-4H,1H3,(H,8,9);2-3H,1H3,(H,8,9);;;;;;/q6*-1;;;;;;;;;;;;
InChIKeyONNYOGLWEYSXCX-UHFFFAOYSA-N
MW3298.19 g/mol
LogP18.73
Rot. Bonds18

About 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid

2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid (PubChem CID 158855610) has the molecular formula C107H97F6Ir6N17O14P6-6 and a molecular weight of 3298.19 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid
PubChem CID158855610
Molecular FormulaC107H97F6Ir6N17O14P6-6
Molecular Weight3298.19 g/mol
Exact Mass3301.35
IUPAC Name2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid
SMILESCCOP(=O)(O)c1ccncn1.COP(=O)(O)c1ccccn1.CP(=O)(O)c1ccccn1.CP(=O)(O)c1ccncn1.CP(=O)(O)c1ncncn1.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.O=P(O)(c1ccccc1)c1ncccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccccc1Cc1ccccn1
InChIInChI=1S/C13H6F6N.2C12H10N.3C11H8N.C10H9N2O2P.C6H9N2O3P.C6H8NO3P.C6H8NO2P.C5H7N2O2P.C4H6N3O2P.6Ir/c14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;2*1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;13-15(14,9-5-2-1-3-6-9)10-11-7-4-8-12-10;1-2-11-12(9,10)6-3-4-7-5-8-6;1-10-11(8,9)6-4-2-3-5-7-6;1-10(8,9)6-4-2-3-5-7-6;1-10(8,9)5-2-3-6-4-7-5;1-10(8,9)4-6-2-5-3-7-4;;;;;;/h1-5,7H;2*1-6,8-9H,10H2;3*1-6,8-9H;1-8H,(H,13,14);3-5H,2H2,1H3,(H,9,10);2-5H,1H3,(H,8,9);2-5H,1H3,(H,8,9);2-4H,1H3,(H,8,9);2-3H,1H3,(H,8,9);;;;;;/q6*-1;;;;;;;;;;;;
InChIKeyONNYOGLWEYSXCX-UHFFFAOYSA-N
XLogP18.73
TPSA461.39 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003298.19
LogP ≤ 518.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid with MolForge

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Related Compounds

tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-lambda5-phosphane);tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine
CID 157559538
tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-lambda5-phosphane);tetrakis(iridium);bis(4-methyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine);bis(4-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine)
CID 158985186
tris(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-lambda5-phosphane);tris(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine
CID 159351715
tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-lambda5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium)
CID 159597308
tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-lambda5-phosphane);tetrakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide
CID 159661132
tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-lambda5-phosphane);tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-4-(trifluoromethyl)pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-4-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrimidine
CID 159741459
tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-lambda5-phosphane);4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium)
CID 161459702
tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-lambda5-phosphane);tetrakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide
CID 162087207
2,7-bis[methyl-(3-pyridin-2-ylbenzene-2-id-1-yl)phosphoryl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-dimethyl-2-N,7-N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-ylbenzene-2-id-1-yl)boranyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-ylbenzene-2-id-1-yl)borane;octakis(palladium(2+))
CID 157860158
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;4,6-dimethylpyrimidine-2-sulfonic acid;ethoxy(1,3,5-triazin-2-yl)phosphinic acid;hexakis(iridium);methoxy(pyrimidin-4-yl)phosphinic acid;2-[(3-methylbenzene-6-id-1-yl)methyl]pyridine;2-(phenylmethyl)pyridine;tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid;propan-2-yloxy(pyridin-2-yl)phosphinic acid;1,3,5-triazine-2-sulfonic acid
CID 161475107

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid (CID 158855610) is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid is CCOP(=O)(O)c1ccncn1.COP(=O)(O)c1ccccn1.CP(=O)(O)c1ccccn1.CP(=O)(O)c1ccncn1.CP(=O)(O)c1ncncn1.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.O=P(O)(c1ccccc1)c1ncccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccccc1Cc1ccccn1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid?
The InChIKey is ONNYOGLWEYSXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6N.2C12H10N.3C11H8N.C10H9N2O2P.C6H9N2O3P.C6H8NO3P.C6H8NO2P.C5H7N2O2P.C4H6N3O2P.6Ir/c14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;2*1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;13-15(14,9-5-2-1-3-6-9)10-11-7-4-8-12-10;1-2-11-12(9,10)6-3-4-7-5-8-6;1-10-11(8,9)6-4-2-3-5-7-6;1-10(8,9)6-4-2-3-5-7-6;1-10(8,9)5-2-3-6-4-7-5;1-10(8,9)4-6-2-5-3-7-4;;;;;;/h1-5,7H;2*1-6,8-9H,10H2;3*1-6,8-9H;1-8H,(H,13,14);3-5H,2H2,1H3,(H,9,10);2-5H,1H3,(H,8,9);2-5H,1H3,(H,8,9);2-4H,1H3,(H,8,9);2-3H,1H3,(H,8,9);;;;;;/q6*-1;;;;;;;;;;;;.
What are the key properties of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid?
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid has a molecular weight of 3298.19 g/mol, XLogP of 18.73, 18 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;ethoxy(pyrimidin-4-yl)phosphinic acid;hexakis(iridium);methoxy(pyridin-2-yl)phosphinic acid;methyl(pyridin-2-yl)phosphinic acid;methyl(pyrimidin-4-yl)phosphinic acid;methyl(1,3,5-triazin-2-yl)phosphinic acid;bis(2-(phenylmethyl)pyridine);tris(2-phenylpyridine);phenyl(pyrimidin-2-yl)phosphinic acid is sourced from PubChem (CID 158855610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).