tris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine

C144H104Ir4N8O4-8 — CID 159084332

IUPACtris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
SMILESCc1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.Cc1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.Cc1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.Cc1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])C([2H])([2H])c1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H18NO.3C24H16NO.3C12H10N.C11H8N.4Ir/c1-2-17-15-23(18-9-4-3-5-10-18)26-16-22(17)21-13-8-12-20-19-11-6-7-14-24(19)27-25(20)21;3*1-16-14-22(17-8-3-2-4-9-17)25-15-21(16)20-12-7-11-19-18-10-5-6-13-23(18)26-24(19)20;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3-9,11-16H,2H2,1H3;3*2-8,10-15H,1H3;2-7,9H,1H3;2*2-5,7-9H,1H3;1-6,8-9H;;;;/q8*-1;;;;/i1D3,2D2;;;;;2*1D3;;;;;
InChIKeyGPLHYHMJHTUGDA-WHXABDDYSA-N
MW2790.40 g/mol
LogP37.06
Rot. Bonds16

About tris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine

tris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine (PubChem CID 159084332) has the molecular formula C144H104Ir4N8O4-8 and a molecular weight of 2790.40 g/mol. Its IUPAC name is tris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Nametris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
PubChem CID159084332
Molecular FormulaC144H104Ir4N8O4-8
Molecular Weight2790.40 g/mol
Exact Mass2791.74
IUPAC Nametris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
SMILESCc1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.Cc1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.Cc1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.Cc1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])C([2H])([2H])c1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H18NO.3C24H16NO.3C12H10N.C11H8N.4Ir/c1-2-17-15-23(18-9-4-3-5-10-18)26-16-22(17)21-13-8-12-20-19-11-6-7-14-24(19)27-25(20)21;3*1-16-14-22(17-8-3-2-4-9-17)25-15-21(16)20-12-7-11-19-18-10-5-6-13-23(18)26-24(19)20;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3-9,11-16H,2H2,1H3;3*2-8,10-15H,1H3;2-7,9H,1H3;2*2-5,7-9H,1H3;1-6,8-9H;;;;/q8*-1;;;;/i1D3,2D2;;;;;2*1D3;;;;;
InChIKeyGPLHYHMJHTUGDA-WHXABDDYSA-N
XLogP37.06
TPSA155.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002790.40
LogP ≤ 537.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze tris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine with MolForge

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Related Compounds

5-dibenzofuran-4-yl-4-ethyl-2-phenylpyridine;5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine;5-dibenzofuran-4-yl-2-phenyl-4-(trideuteriomethyl)pyridine;tris(iridium);4-methyl-2-phenylpyridine;bis(2-phenylpyridine)
CID 158477004
tetrakis(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine;tris(2-phenylpyridine)
CID 158811687
iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 153412527
2-[3-(4-dibenzofuran-4-ylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium;2-methyl-6-phenylpyridine
CID 153423461
pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)
CID 162204735
2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;2-methyl-6-phenylpyridine
CID 155625049
tetrakis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-5-(trideuteriomethyl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 160684487
tris(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 158275223
2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)-4-methylpyridine;bis(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);tris(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine
CID 158903165
2-(3-dibenzofuran-4-ylbenzene-6-id-1-yl)pyridine;2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)-4-methylpyridine;tris(2-(3-dibenzothiophen-4-ylbenzene-6-id-1-yl)pyridine);pentakis(iridium);bis(2-methyl-6-phenylpyridine);3-methyl-2-phenylpyridine;bis(2-phenylpyridine)
CID 159130652
2-(2H-dibenzofuran-2-id-3-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine)
CID 162181234
CID 168766247
CID 168766247

Frequently Asked Questions

What is the IUPAC name of tris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine?
The IUPAC name of tris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine (CID 159084332) is tris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine.
What is the SMILES notation for tris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine?
The canonical SMILES for tris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine is Cc1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.Cc1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.Cc1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.Cc1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])C([2H])([2H])c1cc(-c2[c-]cccc2)ncc1-c1cccc2c1oc1ccccc12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of tris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine?
The InChIKey is GPLHYHMJHTUGDA-WHXABDDYSA-N. The full InChI is InChI=1S/C25H18NO.3C24H16NO.3C12H10N.C11H8N.4Ir/c1-2-17-15-23(18-9-4-3-5-10-18)26-16-22(17)21-13-8-12-20-19-11-6-7-14-24(19)27-25(20)21;3*1-16-14-22(17-8-3-2-4-9-17)25-15-21(16)20-12-7-11-19-18-10-5-6-13-23(18)26-24(19)20;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3-9,11-16H,2H2,1H3;3*2-8,10-15H,1H3;2-7,9H,1H3;2*2-5,7-9H,1H3;1-6,8-9H;;;;/q8*-1;;;;/i1D3,2D2;;;;;2*1D3;;;;;.
What are the key properties of tris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine?
tris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine has a molecular weight of 2790.40 g/mol, XLogP of 37.06, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5-dibenzofuran-4-yl-4-methyl-2-phenylpyridine);5-dibenzofuran-4-yl-4-(1,1,2,2,2-pentadeuterioethyl)-2-phenylpyridine;tetrakis(iridium);2-methyl-6-phenylpyridine;2-phenylpyridine;2-phenyl-4-(trideuteriomethyl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 159084332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).