iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine

C127H92F6IrN11Pt4- — CID 159077697

IUPACiridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
SMILESCC(C)(c1cccc(-c2[c-]ccc(-c3ccccc3)c2)n1)c1cccc(-c2[c-]ccc(-c3ccccc3)c2)n1.CC(C)(c1cccc(-c2[c-]ccc(C(F)(F)F)c2)n1)c1cccc(-c2[c-]ccc(C(F)(F)F)c2)n1.CC(C)(c1cccc(-c2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.[C-]#[N+]c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C#N)c4)n3)n2)c1.[Ir].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C37H28N2.C27H18F6N2.C27H18N4.C25H20N2.C11H8N.Ir.4Pt/c1-37(2,35-23-11-21-33(38-35)31-19-9-17-29(25-31)27-13-5-3-6-14-27)36-24-12-22-34(39-36)32-20-10-18-30(26-32)28-15-7-4-8-16-28;1-25(2,23-13-5-11-21(34-23)17-7-3-9-19(15-17)26(28,29)30)24-14-6-12-22(35-24)18-8-4-10-20(16-18)27(31,32)33;1-27(2,25-14-6-12-23(30-25)20-9-4-8-19(16-20)18-28)26-15-7-13-24(31-26)21-10-5-11-22(17-21)29-3;1-25(2,23-17-9-15-21(26-23)19-11-5-3-6-12-19)24-18-10-16-22(27-24)20-13-7-4-8-14-20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3-18,21-26H,1-2H3;3-6,9-16H,1-2H3;4-8,11-17H,1-2H3;3-11,13,15-18H,1-2H3;1-6,8-9H;;;;;/q4*-2;-1;;4*+2
InChIKeyUGDKFBCODBWPPI-UHFFFAOYSA-N
MW2858.73 g/mol
LogP31.28
Rot. Bonds19

About iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine

iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 159077697) has the molecular formula C127H92F6IrN11Pt4- and a molecular weight of 2858.73 g/mol. Its IUPAC name is iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine.

Molecular Properties

Compound Nameiridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
PubChem CID159077697
Molecular FormulaC127H92F6IrN11Pt4-
Molecular Weight2858.73 g/mol
Exact Mass2857.57
IUPAC Nameiridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
SMILESCC(C)(c1cccc(-c2[c-]ccc(-c3ccccc3)c2)n1)c1cccc(-c2[c-]ccc(-c3ccccc3)c2)n1.CC(C)(c1cccc(-c2[c-]ccc(C(F)(F)F)c2)n1)c1cccc(-c2[c-]ccc(C(F)(F)F)c2)n1.CC(C)(c1cccc(-c2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.[C-]#[N+]c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C#N)c4)n3)n2)c1.[Ir].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C37H28N2.C27H18F6N2.C27H18N4.C25H20N2.C11H8N.Ir.4Pt/c1-37(2,35-23-11-21-33(38-35)31-19-9-17-29(25-31)27-13-5-3-6-14-27)36-24-12-22-34(39-36)32-20-10-18-30(26-32)28-15-7-4-8-16-28;1-25(2,23-13-5-11-21(34-23)17-7-3-9-19(15-17)26(28,29)30)24-14-6-12-22(35-24)18-8-4-10-20(16-18)27(31,32)33;1-27(2,25-14-6-12-23(30-25)20-9-4-8-19(16-20)18-28)26-15-7-13-24(31-26)21-10-5-11-22(17-21)29-3;1-25(2,23-17-9-15-21(26-23)19-11-5-3-6-12-19)24-18-10-16-22(27-24)20-13-7-4-8-14-20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3-18,21-26H,1-2H3;3-6,9-16H,1-2H3;4-8,11-17H,1-2H3;3-11,13,15-18H,1-2H3;1-6,8-9H;;;;;/q4*-2;-1;;4*+2
InChIKeyUGDKFBCODBWPPI-UHFFFAOYSA-N
XLogP31.28
TPSA144.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002858.73
LogP ≤ 531.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
CID 60160592
[Co(bpy(PYCF3)2)(MeCN)(OTf)](OTf)
CID 139042186
[Co(bpy2pyCF3)OTf)OTf*5CH3CN
CID 139042426
Manganese(2+);tris(2-pyridin-2-ylpyridine);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139098886
Benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
CID 139132391
Trisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine)
CID 139146332
Bis(acetonitrile);2,6-dipyridin-2-ylpyridine;ruthenium(2+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;dihexafluorophosphate
CID 139171244
Tris(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);ruthenium
CID 170518310
Platinum(2+);3-pyridin-2-yl-6-[2-[5-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 57739647
2,6-difluoro-3-[6-[2-[6-[3-fluoro-4-(trifluoromethyl)pyrrol-1-id-2-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;platinum(2+)
CID 57852176

Frequently Asked Questions

What is the IUPAC name of iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?
The IUPAC name of iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine (CID 159077697) is iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine.
What is the SMILES notation for iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?
The canonical SMILES for iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine is CC(C)(c1cccc(-c2[c-]ccc(-c3ccccc3)c2)n1)c1cccc(-c2[c-]ccc(-c3ccccc3)c2)n1.CC(C)(c1cccc(-c2[c-]ccc(C(F)(F)F)c2)n1)c1cccc(-c2[c-]ccc(C(F)(F)F)c2)n1.CC(C)(c1cccc(-c2[c-]cccc2)n1)c1cccc(-c2[c-]cccc2)n1.[C-]#[N+]c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C#N)c4)n3)n2)c1.[Ir].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?
The InChIKey is UGDKFBCODBWPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2.C27H18F6N2.C27H18N4.C25H20N2.C11H8N.Ir.4Pt/c1-37(2,35-23-11-21-33(38-35)31-19-9-17-29(25-31)27-13-5-3-6-14-27)36-24-12-22-34(39-36)32-20-10-18-30(26-32)28-15-7-4-8-16-28;1-25(2,23-13-5-11-21(34-23)17-7-3-9-19(15-17)26(28,29)30)24-14-6-12-22(35-24)18-8-4-10-20(16-18)27(31,32)33;1-27(2,25-14-6-12-23(30-25)20-9-4-8-19(16-20)18-28)26-15-7-13-24(31-26)21-10-5-11-22(17-21)29-3;1-25(2,23-17-9-15-21(26-23)19-11-5-3-6-12-19)24-18-10-16-22(27-24)20-13-7-4-8-14-20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3-18,21-26H,1-2H3;3-6,9-16H,1-2H3;4-8,11-17H,1-2H3;3-11,13,15-18H,1-2H3;1-6,8-9H;;;;;/q4*-2;-1;;4*+2.
What are the key properties of iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?
iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine has a molecular weight of 2858.73 g/mol, XLogP of 31.28, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-phenylbenzene-6-id-1-yl)-6-[2-[6-(3-phenylbenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;2-phenylpyridine;tetrakis(platinum(2+));2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine is sourced from PubChem (CID 159077697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).