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)

C115H92Ir4N14-8 — CID 158714424

IUPAC2,4-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)
SMILESCc1cccc(-c2ccnc(-c3[c-]cccc3)c2)n1.Cc1nc(C)nc(-c2ccc(-c3[c-]cccc3)nc2)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.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccn2)ccn1
InChIInChI=1S/C18H15N2.C17H13N2.C16H13N4.C16H11N2.4C12H10N.4Ir/c1-2-16-9-6-10-17(20-16)15-11-12-19-18(13-15)14-7-4-3-5-8-14;1-13-6-5-9-16(19-13)15-10-11-18-17(12-15)14-7-3-2-4-8-14;1-11-18-12(2)20-16(19-11)14-8-9-15(17-10-14)13-6-4-3-5-7-13;1-2-6-13(7-3-1)16-12-14(9-11-18-16)15-8-4-5-10-17-15;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h3-7,9-13H,2H2,1H3;2-7,9-12H,1H3;3-6,8-10H,1-2H3;1-6,8-12H;4*2-5,7-9H,1H3;;;;/q8*-1;;;;/i1D3;;;;4*1D3;;;;
InChIKeyLUEKUTYUVXAHKS-BALWPDCNSA-N
MW2454.06 g/mol
LogP26.14
Rot. Bonds18

About 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)

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) (PubChem CID 158714424) has the molecular formula C115H92Ir4N14-8 and a molecular weight of 2454.06 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name2,4-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)
PubChem CID158714424
Molecular FormulaC115H92Ir4N14-8
Molecular Weight2454.06 g/mol
Exact Mass2455.71
IUPAC Name2,4-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)
SMILESCc1cccc(-c2ccnc(-c3[c-]cccc3)c2)n1.Cc1nc(C)nc(-c2ccc(-c3[c-]cccc3)nc2)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.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccn2)ccn1
InChIInChI=1S/C18H15N2.C17H13N2.C16H13N4.C16H11N2.4C12H10N.4Ir/c1-2-16-9-6-10-17(20-16)15-11-12-19-18(13-15)14-7-4-3-5-8-14;1-13-6-5-9-16(19-13)15-10-11-18-17(12-15)14-7-3-2-4-8-14;1-11-18-12(2)20-16(19-11)14-8-9-15(17-10-14)13-6-4-3-5-7-13;1-2-6-13(7-3-1)16-12-14(9-11-18-16)15-8-4-5-10-17-15;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h3-7,9-13H,2H2,1H3;2-7,9-12H,1H3;3-6,8-10H,1-2H3;1-6,8-12H;4*2-5,7-9H,1H3;;;;/q8*-1;;;;/i1D3;;;;4*1D3;;;;
InChIKeyLUEKUTYUVXAHKS-BALWPDCNSA-N
XLogP26.14
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002454.06
LogP ≤ 526.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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) with MolForge

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Related Compounds

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
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
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
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
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
pentakis(iridium);2-methyl-6-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;bis(2-(4-phenylbenzene-6-id-1-yl)pyridine);5-phenyl-2-phenylpyridine;tetrakis(2-phenylpyridine)
CID 158247432
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
2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
CID 58261624
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
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383
2,4-bis[2-(4-methylphenyl)pyrimidin-5-yl]-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
CID 58261700

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is Cc1cccc(-c2ccnc(-c3[c-]cccc3)c2)n1.Cc1nc(C)nc(-c2ccc(-c3[c-]cccc3)nc2)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.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccn2)ccn1.
What is the InChIKey of 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)?
The InChIKey is LUEKUTYUVXAHKS-BALWPDCNSA-N. The full InChI is InChI=1S/C18H15N2.C17H13N2.C16H13N4.C16H11N2.4C12H10N.4Ir/c1-2-16-9-6-10-17(20-16)15-11-12-19-18(13-15)14-7-4-3-5-8-14;1-13-6-5-9-16(19-13)15-10-11-18-17(12-15)14-7-3-2-4-8-14;1-11-18-12(2)20-16(19-11)14-8-9-15(17-10-14)13-6-4-3-5-7-13;1-2-6-13(7-3-1)16-12-14(9-11-18-16)15-8-4-5-10-17-15;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h3-7,9-13H,2H2,1H3;2-7,9-12H,1H3;3-6,8-10H,1-2H3;1-6,8-12H;4*2-5,7-9H,1H3;;;;/q8*-1;;;;/i1D3;;;;4*1D3;;;;.
What are the key properties of 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)?
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) has a molecular weight of 2454.06 g/mol, XLogP of 26.14, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158714424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).