tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine

C138H96F12Ir4N8-8 — CID 158572410

IUPACtetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
SMILESCc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.FC(F)(F)c1c(-c2ccccc2)cccc1-c1cc[c-]c(-c2ccccn2)c1.FC(F)(F)c1cc(-c2ccccc2)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.FC(F)(F)c1cc(-c2ccccc2)ccc1-c1cc[c-]c(-c2ccccn2)c1.FC(F)(F)c1cccc(-c2cc[c-]c(-c3ccccn3)c2)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/3C24H15F3N.C18H11F3N.4C12H10N.4Ir/c25-24(26,27)23-20(17-8-2-1-3-9-17)12-7-13-21(23)18-10-6-11-19(16-18)22-14-4-5-15-28-22;25-24(26,27)22-16-18(17-7-2-1-3-8-17)12-13-21(22)19-9-6-10-20(15-19)23-11-4-5-14-28-23;25-24(26,27)22-15-20(17-7-2-1-3-8-17)14-21(16-22)18-9-6-10-19(13-18)23-11-4-5-12-28-23;19-18(20,21)16-8-4-6-14(12-16)13-5-3-7-15(11-13)17-9-1-2-10-22-17;4*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;/h1-10,12-16H;2*1-9,11-16H;1-6,8-12H;4*2-7,9H,1H3;;;;/q8*-1;;;;
InChIKeyXAZJRSUNZXSGQV-UHFFFAOYSA-N
MW2863.19 g/mol
LogP37.36
Rot. Bonds15

About tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine

tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine (PubChem CID 158572410) has the molecular formula C138H96F12Ir4N8-8 and a molecular weight of 2863.19 g/mol. Its IUPAC name is tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Nametetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
PubChem CID158572410
Molecular FormulaC138H96F12Ir4N8-8
Molecular Weight2863.19 g/mol
Exact Mass2864.61
IUPAC Nametetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
SMILESCc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.FC(F)(F)c1c(-c2ccccc2)cccc1-c1cc[c-]c(-c2ccccn2)c1.FC(F)(F)c1cc(-c2ccccc2)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.FC(F)(F)c1cc(-c2ccccc2)ccc1-c1cc[c-]c(-c2ccccn2)c1.FC(F)(F)c1cccc(-c2cc[c-]c(-c3ccccn3)c2)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/3C24H15F3N.C18H11F3N.4C12H10N.4Ir/c25-24(26,27)23-20(17-8-2-1-3-9-17)12-7-13-21(23)18-10-6-11-19(16-18)22-14-4-5-15-28-22;25-24(26,27)22-16-18(17-7-2-1-3-8-17)12-13-21(22)19-9-6-10-20(15-19)23-11-4-5-14-28-23;25-24(26,27)22-15-20(17-7-2-1-3-8-17)14-21(16-22)18-9-6-10-19(13-18)23-11-4-5-12-28-23;19-18(20,21)16-8-4-6-14(12-16)13-5-3-7-15(11-13)17-9-1-2-10-22-17;4*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;/h1-10,12-16H;2*1-9,11-16H;1-6,8-12H;4*2-7,9H,1H3;;;;/q8*-1;;;;
InChIKeyXAZJRSUNZXSGQV-UHFFFAOYSA-N
XLogP37.36
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002863.19
LogP ≤ 537.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine with MolForge

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Related Compounds

3-[(2S)-1-methylpyrrolidin-2-yl]-1-[5-[2,4,5-tris[5-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44581014
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
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
CID 60160592
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
Tetrakis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);hexane;methanolate;bis(rhodium(3+));bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139141108

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine?
The IUPAC name of tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine (CID 158572410) is tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine.
What is the SMILES notation for tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine?
The canonical SMILES for tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine is Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.FC(F)(F)c1c(-c2ccccc2)cccc1-c1cc[c-]c(-c2ccccn2)c1.FC(F)(F)c1cc(-c2ccccc2)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.FC(F)(F)c1cc(-c2ccccc2)ccc1-c1cc[c-]c(-c2ccccn2)c1.FC(F)(F)c1cccc(-c2cc[c-]c(-c3ccccn3)c2)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine?
The InChIKey is XAZJRSUNZXSGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H15F3N.C18H11F3N.4C12H10N.4Ir/c25-24(26,27)23-20(17-8-2-1-3-9-17)12-7-13-21(23)18-10-6-11-19(16-18)22-14-4-5-15-28-22;25-24(26,27)22-16-18(17-7-2-1-3-8-17)12-13-21(22)19-9-6-10-20(15-19)23-11-4-5-14-28-23;25-24(26,27)22-15-20(17-7-2-1-3-8-17)14-21(16-22)18-9-6-10-19(13-18)23-11-4-5-12-28-23;19-18(20,21)16-8-4-6-14(12-16)13-5-3-7-15(11-13)17-9-1-2-10-22-17;4*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;/h1-10,12-16H;2*1-9,11-16H;1-6,8-12H;4*2-7,9H,1H3;;;;/q8*-1;;;;.
What are the key properties of tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine?
tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine has a molecular weight of 2863.19 g/mol, XLogP of 37.36, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(iridium);tetrakis(2-methyl-6-phenylpyridine);2-[3-[3-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-phenyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-phenyl-2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 158572410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).