5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-ylideneazanide;bis(iridium);iridium(3+);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine

C128H128Ir3N8O4-3 — CID 159053118

About 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-ylideneazanide;bis(iridium);iridium(3+);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine

5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-ylideneazanide;bis(iridium);iridium(3+);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine (PubChem CID 159053118) has the molecular formula C128H128Ir3N8O4-3 and a molecular weight of 2419.13 g/mol. Its IUPAC name is 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-ylideneazanide;bis(iridium);iridium(3+);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine.

Molecular Properties

• Compound Name: 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-ylideneazanide;bis(iridium);iridium(3+);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine
• PubChem CID: 159053118
• Molecular Formula: C128H128Ir3N8O4-3
• Molecular Weight: 2419.13 g/mol
• Exact Mass: 2419.90
• IUPAC Name: 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-ylideneazanide;bis(iridium);iridium(3+);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine
• SMILES: C.CC(=[N-])C=C(C)O.CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1cc[c-]c(-c2cc3c(ccc4ccccc43)cn2)c1.[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C31H27N2O.C28H27N2.C21H20N.C20H14N.C11H8N.C11H20O2.C5H8NO.CH4.3Ir/c1-19(2)21-12-9-13-22(20(3)4)29(21)33-27-17-7-6-16-26(27)32-31(33)25-15-10-14-24-23-11-5-8-18-28(23)34-30(24)25;1-17-10-18(2)13-23(12-17)27-28(24-14-19(3)11-20(4)15-24)30-25(16-29-27)26-21(5)8-7-9-22(26)6;1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14-5-4-7-16(11-14)20-12-19-17(13-21-20)10-9-15-6-2-3-8-18(15)19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8(2)5-10(12)7-11(13)6-9(3)4;1-4(6)3-5(2)7;;;;/h5-14,16-20H,1-4H3;7-12,14-16H,1-6H3;4-10,12-15H,1-3H3;2-6,8-13H,1H3;1-6,8-9H;7-9,12H,5-6H2,1-4H3;3,7H,1-2H3;1H4;;;/q5*-1;;-1;;;;+3
• InChIKey: SBGQOPNUNFHXRJ-UHFFFAOYSA-N
• XLogP: 34.19
• TPSA: 175.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2419.13
LogP ≤ 5	34.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-ylideneazanide;bis(iridium);iridium(3+);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine?

The IUPAC name of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-ylideneazanide;bis(iridium);iridium(3+);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine (CID 159053118) is 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-ylideneazanide;bis(iridium);iridium(3+);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine.

What is the SMILES notation for 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-ylideneazanide;bis(iridium);iridium(3+);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine?

The canonical SMILES for 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-ylideneazanide;bis(iridium);iridium(3+);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine is C.CC(=[N-])C=C(C)O.CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1cc[c-]c(-c2cc3c(ccc4ccccc43)cn2)c1.[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-ylideneazanide;bis(iridium);iridium(3+);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine?

The InChIKey is SBGQOPNUNFHXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N2O.C28H27N2.C21H20N.C20H14N.C11H8N.C11H20O2.C5H8NO.CH4.3Ir/c1-19(2)21-12-9-13-22(20(3)4)29(21)33-27-17-7-6-16-26(27)32-31(33)25-15-10-14-24-23-11-5-8-18-28(23)34-30(24)25;1-17-10-18(2)13-23(12-17)27-28(24-14-19(3)11-20(4)15-24)30-25(16-29-27)26-21(5)8-7-9-22(26)6;1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14-5-4-7-16(11-14)20-12-19-17(13-21-20)10-9-15-6-2-3-8-18(15)19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-8(2)5-10(12)7-11(13)6-9(3)4;1-4(6)3-5(2)7;;;;/h5-14,16-20H,1-4H3;7-12,14-16H,1-6H3;4-10,12-15H,1-3H3;2-6,8-13H,1H3;1-6,8-9H;7-9,12H,5-6H2,1-4H3;3,7H,1-2H3;1H4;;;/q5*-1;;-1;;;;+3.

What are the key properties of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-ylideneazanide;bis(iridium);iridium(3+);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine?

5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-ylideneazanide;bis(iridium);iridium(3+);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine has a molecular weight of 2419.13 g/mol, XLogP of 34.19, 17 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-ylideneazanide;bis(iridium);iridium(3+);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-phenylpyridine is sourced from PubChem (CID 159053118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).