4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)

C122H100Ir4N8-8 — CID 157099536

IUPAC4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
SMILESCCc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[2H]C([2H])([2H])C([2H])(C)c1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C20H18N.C19H16N.C18H14N.C17H12N.4C12H10N.4Ir/c1-15(2)16-8-10-17(11-9-16)19-12-13-21-20(14-19)18-6-4-3-5-7-18;1-2-15-8-10-16(11-9-15)18-12-13-20-19(14-18)17-6-4-3-5-7-17;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h3-6,8-15H,1-2H3;3-6,8-14H,2H2,1H3;2-5,7-13H,1H3;1-9,11-13H;4*2-5,7-9H,1H3;;;;/q8*-1;;;;/i1D3,15D;;;;4*1D3;;;;
InChIKeyVSQCBZXNTUDASM-WWNNUVSZSA-N
MW2463.16 g/mol
LogP30.28
Rot. Bonds19

About 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)

4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) (PubChem CID 157099536) has the molecular formula C122H100Ir4N8-8 and a molecular weight of 2463.16 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine).

Molecular Properties

Compound Name4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
PubChem CID157099536
Molecular FormulaC122H100Ir4N8-8
Molecular Weight2463.16 g/mol
Exact Mass2464.76
IUPAC Name4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
SMILESCCc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[2H]C([2H])([2H])C([2H])(C)c1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C20H18N.C19H16N.C18H14N.C17H12N.4C12H10N.4Ir/c1-15(2)16-8-10-17(11-9-16)19-12-13-21-20(14-19)18-6-4-3-5-7-18;1-2-15-8-10-16(11-9-15)18-12-13-20-19(14-18)17-6-4-3-5-7-17;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h3-6,8-15H,1-2H3;3-6,8-14H,2H2,1H3;2-5,7-13H,1H3;1-9,11-13H;4*2-5,7-9H,1H3;;;;/q8*-1;;;;/i1D3,15D;;;;4*1D3;;;;
InChIKeyVSQCBZXNTUDASM-WWNNUVSZSA-N
XLogP30.28
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002463.16
LogP ≤ 530.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) with MolForge

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Related Compounds

(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
CID 59546880
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
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
Ru(II)(bpy)2(Mebpy-cyclam-2H+)
CID 16683895
5,10,15,20-Tetra(4-pyridinyl)porphyrin-nickel (1:1)
CID 6522361
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
Zinc tetrabenzylpyridoporphyrin
CID 16131349
Benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
CID 139132391

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)?
The IUPAC name of 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) (CID 157099536) is 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine).
What is the SMILES notation for 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)?
The canonical SMILES for 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) is CCc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[2H]C([2H])([2H])C([2H])(C)c1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.
What is the InChIKey of 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)?
The InChIKey is VSQCBZXNTUDASM-WWNNUVSZSA-N. The full InChI is InChI=1S/C20H18N.C19H16N.C18H14N.C17H12N.4C12H10N.4Ir/c1-15(2)16-8-10-17(11-9-16)19-12-13-21-20(14-19)18-6-4-3-5-7-18;1-2-15-8-10-16(11-9-15)18-12-13-20-19(14-18)17-6-4-3-5-7-17;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h3-6,8-15H,1-2H3;3-6,8-14H,2H2,1H3;2-5,7-13H,1H3;1-9,11-13H;4*2-5,7-9H,1H3;;;;/q8*-1;;;;/i1D3,15D;;;;4*1D3;;;;.
What are the key properties of 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)?
4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) has a molecular weight of 2463.16 g/mol, XLogP of 30.28, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;4-phenyl-2-phenylpyridine;2-phenyl-4-[4-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) is sourced from PubChem (CID 157099536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).