2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);iridium(3+);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;bis(2-phenylpyridine);2-phenyl-2H-pyridin-1-ide;2-phenyl-4-pyridin-2-ylpyridine

C154H119Ir6N13O6-7 — CID 157186099

About 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);iridium(3+);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;bis(2-phenylpyridine);2-phenyl-2H-pyridin-1-ide;2-phenyl-4-pyridin-2-ylpyridine

2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);iridium(3+);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;bis(2-phenylpyridine);2-phenyl-2H-pyridin-1-ide;2-phenyl-4-pyridin-2-ylpyridine (PubChem CID 157186099) has the molecular formula C154H119Ir6N13O6-7 and a molecular weight of 3401.03 g/mol. Its IUPAC name is 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);iridium(3+);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;bis(2-phenylpyridine);2-phenyl-2H-pyridin-1-ide;2-phenyl-4-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);iridium(3+);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;bis(2-phenylpyridine);2-phenyl-2H-pyridin-1-ide;2-phenyl-4-pyridin-2-ylpyridine
• PubChem CID: 157186099
• Molecular Formula: C154H119Ir6N13O6-7
• Molecular Weight: 3401.03 g/mol
• Exact Mass: 3403.72
• IUPAC Name: 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);iridium(3+);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;bis(2-phenylpyridine);2-phenyl-2H-pyridin-1-ide;2-phenyl-4-pyridin-2-ylpyridine
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(-c2ccccn2)[c-]c2ccccc12.Cc1cc2ccccc2[c-]c1-c1ccccn1.Cc1ccc(-c2nc(-c3c[c-]c(-c4ccccn4)cc3)nc(-c3ccc(C)cc3)n2)cc1.Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir+3].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccn2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1C1C=CC=C[N-]1
• InChI: InChI=1S/C28H21N4.C18H12NO.C17H10NO.C16H11N2.2C16H12N.C11H9N.2C11H8N.2C5H8O2.6Ir/c1-19-6-10-22(11-7-19)26-30-27(23-12-8-20(2)9-13-23)32-28(31-26)24-16-14-21(15-17-24)25-5-3-4-18-29-25;1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-6-13(7-3-1)16-12-14(9-11-18-16)15-8-4-5-10-17-15;1-12-10-14(16-8-4-5-9-17-16)11-13-6-2-3-7-15(12)13;1-12-10-13-6-2-3-7-14(13)11-15(12)16-8-4-5-9-17-16;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-4(6)3-5(2)7;;;;;;/h3-14,16-18H,1-2H3;2-6,8-11H,1H3;1-7,9-11H;1-6,8-12H;2*2-10H,1H3;1-6,8-9,11H;2*1-6,8-9H;2*3,6H,1-2H3;;;;;;/q6*-1;-2;2*-1;;;;;;;;+3
• InChIKey: UZYIDAASTVJNHF-UHFFFAOYSA-N
• XLogP: 37.33
• TPSA: 269.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3401.03
LogP ≤ 5	37.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);iridium(3+);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;bis(2-phenylpyridine);2-phenyl-2H-pyridin-1-ide;2-phenyl-4-pyridin-2-ylpyridine?

The IUPAC name of 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);iridium(3+);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;bis(2-phenylpyridine);2-phenyl-2H-pyridin-1-ide;2-phenyl-4-pyridin-2-ylpyridine (CID 157186099) is 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);iridium(3+);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;bis(2-phenylpyridine);2-phenyl-2H-pyridin-1-ide;2-phenyl-4-pyridin-2-ylpyridine.

What is the SMILES notation for 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);iridium(3+);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;bis(2-phenylpyridine);2-phenyl-2H-pyridin-1-ide;2-phenyl-4-pyridin-2-ylpyridine?

The canonical SMILES for 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);iridium(3+);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;bis(2-phenylpyridine);2-phenyl-2H-pyridin-1-ide;2-phenyl-4-pyridin-2-ylpyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(-c2ccccn2)[c-]c2ccccc12.Cc1cc2ccccc2[c-]c1-c1ccccn1.Cc1ccc(-c2nc(-c3c[c-]c(-c4ccccn4)cc3)nc(-c3ccc(C)cc3)n2)cc1.Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir+3].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccn2)ccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1C1C=CC=C[N-]1.

What is the InChIKey of 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);iridium(3+);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;bis(2-phenylpyridine);2-phenyl-2H-pyridin-1-ide;2-phenyl-4-pyridin-2-ylpyridine?

The InChIKey is UZYIDAASTVJNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N4.C18H12NO.C17H10NO.C16H11N2.2C16H12N.C11H9N.2C11H8N.2C5H8O2.6Ir/c1-19-6-10-22(11-7-19)26-30-27(23-12-8-20(2)9-13-23)32-28(31-26)24-16-14-21(15-17-24)25-5-3-4-18-29-25;1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-6-13(7-3-1)16-12-14(9-11-18-16)15-8-4-5-10-17-15;1-12-10-14(16-8-4-5-9-17-16)11-13-6-2-3-7-15(12)13;1-12-10-13-6-2-3-7-14(13)11-15(12)16-8-4-5-9-17-16;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-4(6)3-5(2)7;;;;;;/h3-14,16-18H,1-2H3;2-6,8-11H,1H3;1-7,9-11H;1-6,8-12H;2*2-10H,1H3;1-6,8-9,11H;2*1-6,8-9H;2*3,6H,1-2H3;;;;;;/q6*-1;-2;2*-1;;;;;;;;+3.

What are the key properties of 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);iridium(3+);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;bis(2-phenylpyridine);2-phenyl-2H-pyridin-1-ide;2-phenyl-4-pyridin-2-ylpyridine?

2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);iridium(3+);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;bis(2-phenylpyridine);2-phenyl-2H-pyridin-1-ide;2-phenyl-4-pyridin-2-ylpyridine has a molecular weight of 3401.03 g/mol, XLogP of 37.33, 15 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);iridium(3+);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;bis(2-phenylpyridine);2-phenyl-2H-pyridin-1-ide;2-phenyl-4-pyridin-2-ylpyridine is sourced from PubChem (CID 157186099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).