tris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)

C93H81Ir3N9-6 — CID 157301558

IUPACtris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)
SMILES[2H]C(C)(C)C([2H])([2H])c1cccc(-c2ccnc(-c3[c-]cccc3)c2)n1.[2H]C([2H])([2H])C([2H])(C)c1cccc(-c2ccnc(-c3[c-]cccc3)c2)n1.[2H]C([2H])([2H])Cc1cccc(-c2ccnc(-c3[c-]cccc3)c2)n1.[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]
InChIInChI=1S/C20H19N2.C19H17N2.C18H15N2.3C12H10N.3Ir/c1-15(2)13-18-9-6-10-19(22-18)17-11-12-21-20(14-17)16-7-4-3-5-8-16;1-14(2)17-9-6-10-18(21-17)16-11-12-20-19(13-16)15-7-4-3-5-8-15;1-2-16-9-6-10-17(20-16)15-11-12-19-18(13-15)14-7-4-3-5-8-14;3*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h3-7,9-12,14-15H,13H2,1-2H3;3-7,9-14H,1-2H3;3-7,9-13H,2H2,1H3;3*2-5,7-9H,1H3;;;/q6*-1;;;/i13D2,15D;1D3,14D;4*1D3;;;
InChIKeyJKMOPWHIIMAUAB-IGFOVTTRSA-N
MW1920.50 g/mol
LogP22.28
Rot. Bonds18

About tris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)

tris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine) (PubChem CID 157301558) has the molecular formula C93H81Ir3N9-6 and a molecular weight of 1920.50 g/mol. Its IUPAC name is tris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine).

Molecular Properties

Compound Nametris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)
PubChem CID157301558
Molecular FormulaC93H81Ir3N9-6
Molecular Weight1920.50 g/mol
Exact Mass1921.67
IUPAC Nametris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)
SMILES[2H]C(C)(C)C([2H])([2H])c1cccc(-c2ccnc(-c3[c-]cccc3)c2)n1.[2H]C([2H])([2H])C([2H])(C)c1cccc(-c2ccnc(-c3[c-]cccc3)c2)n1.[2H]C([2H])([2H])Cc1cccc(-c2ccnc(-c3[c-]cccc3)c2)n1.[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]
InChIInChI=1S/C20H19N2.C19H17N2.C18H15N2.3C12H10N.3Ir/c1-15(2)13-18-9-6-10-19(22-18)17-11-12-21-20(14-17)16-7-4-3-5-8-16;1-14(2)17-9-6-10-18(21-17)16-11-12-20-19(13-16)15-7-4-3-5-8-15;1-2-16-9-6-10-17(20-16)15-11-12-19-18(13-15)14-7-4-3-5-8-14;3*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h3-7,9-12,14-15H,13H2,1-2H3;3-7,9-14H,1-2H3;3-7,9-13H,2H2,1H3;3*2-5,7-9H,1H3;;;/q6*-1;;;/i13D2,15D;1D3,14D;4*1D3;;;
InChIKeyJKMOPWHIIMAUAB-IGFOVTTRSA-N
XLogP22.28
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001920.50
LogP ≤ 522.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine) with MolForge

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Related Compounds

2,4-dimethyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tetrakis(iridium);2-methyl-6-(2-phenyl-4-pyridinyl)pyridine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
CID 158714424
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
tris(iridium);2-methyl-4-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-5-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-4-(2-phenyl-4-pyridinyl)-6-(trideuteriomethyl)-1,3,5-triazine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)
CID 158130703
iridium;4-methyl-2-phenyl-5-pyridin-2-ylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 153412527
pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine
CID 159414504
4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-phenylpyridine;iridium;2-[2-methanidyl-5-phenyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine
CID 166503156
tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tris(2-methyl-8-pyridin-2-yl-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine
CID 159770764
4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-phenylpyridine;iridium;2-(trideuteriomethyl)-10-[5-(trideuteriomethyl)-2-pyridinyl]-9H-[1]benzofuro[3,2-h]quinolin-9-ide
CID 172522995
iridium;4-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 172506536
2-(2,5-difluorobenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;iridium;4-phenyl-2-phenylpyridine
CID 168823077
tetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine
CID 160585759
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153

Frequently Asked Questions

What is the IUPAC name of tris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)?
The IUPAC name of tris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine) (CID 157301558) is tris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine).
What is the SMILES notation for tris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)?
The canonical SMILES for tris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine) is [2H]C(C)(C)C([2H])([2H])c1cccc(-c2ccnc(-c3[c-]cccc3)c2)n1.[2H]C([2H])([2H])C([2H])(C)c1cccc(-c2ccnc(-c3[c-]cccc3)c2)n1.[2H]C([2H])([2H])Cc1cccc(-c2ccnc(-c3[c-]cccc3)c2)n1.[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].
What is the InChIKey of tris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)?
The InChIKey is JKMOPWHIIMAUAB-IGFOVTTRSA-N. The full InChI is InChI=1S/C20H19N2.C19H17N2.C18H15N2.3C12H10N.3Ir/c1-15(2)13-18-9-6-10-19(22-18)17-11-12-21-20(14-17)16-7-4-3-5-8-16;1-14(2)17-9-6-10-18(21-17)16-11-12-20-19(13-16)15-7-4-3-5-8-15;1-2-16-9-6-10-17(20-16)15-11-12-19-18(13-15)14-7-4-3-5-8-14;3*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h3-7,9-12,14-15H,13H2,1-2H3;3-7,9-14H,1-2H3;3-7,9-13H,2H2,1H3;3*2-5,7-9H,1H3;;;/q6*-1;;;/i13D2,15D;1D3,14D;4*1D3;;;.
What are the key properties of tris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)?
tris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine) has a molecular weight of 1920.50 g/mol, XLogP of 22.28, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine) is sourced from PubChem (CID 157301558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).