4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine)

C126H110Ir5N7O3-7 — CID 159340101

About 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine)

4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine) (PubChem CID 159340101) has the molecular formula C126H110Ir5N7O3-7 and a molecular weight of 2731.40 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine).

Molecular Properties

• Compound Name: 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine)
• PubChem CID: 159340101
• Molecular Formula: C126H110Ir5N7O3-7
• Molecular Weight: 2731.40 g/mol
• Exact Mass: 2733.69
• IUPAC Name: 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine)
• SMILES: CC(=O)C=C(C)O.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)Cc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.CC(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1c[c-]c(-c2cc(-c3ccccc3)ccn2)cc1.Cc1cc(C)cc(-c2ccnc(-c3[c-]cccc3)c2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C21H18NO.C21H20N.C20H18N.C19H16N.C18H14N.2C11H8N.C5H8O2.5Ir/c1-14(2)13-15-7-5-8-16-17-9-6-10-18(21(17)23-20(15)16)19-11-3-4-12-22-19;1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-15(2)19-11-12-20(21-14-19)18-10-6-9-17(13-18)16-7-4-3-5-8-16;1-14-10-15(2)12-18(11-14)17-8-9-20-19(13-17)16-6-4-3-5-7-16;1-14-7-9-16(10-8-14)18-13-17(11-12-19-18)15-5-3-2-4-6-15;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;/h3-9,11-12,14H,13H2,1-2H3;4-10,12-15H,1-3H3;3-9,11-15H,1-2H3;3-6,8-13H,1-2H3;2-9,11-13H,1H3;2*1-6,8-9H;3,6H,1-2H3;;;;;/q7*-1
• InChIKey: FAEXYHMOEAFPBG-UHFFFAOYSA-N
• XLogP: 31.98
• TPSA: 140.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2731.40
LogP ≤ 5	31.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine)?

The IUPAC name of 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine) (CID 159340101) is 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine).

What is the SMILES notation for 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine)?

The canonical SMILES for 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine) is CC(=O)C=C(C)O.CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)Cc1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.CC(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1c[c-]c(-c2cc(-c3ccccc3)ccn2)cc1.Cc1cc(C)cc(-c2ccnc(-c3[c-]cccc3)c2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine)?

The InChIKey is FAEXYHMOEAFPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18NO.C21H20N.C20H18N.C19H16N.C18H14N.2C11H8N.C5H8O2.5Ir/c1-14(2)13-15-7-5-8-16-17-9-6-10-18(21(17)23-20(15)16)19-11-3-4-12-22-19;1-21(2,3)19-12-13-22-20(15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-15(2)19-11-12-20(21-14-19)18-10-6-9-17(13-18)16-7-4-3-5-8-16;1-14-10-15(2)12-18(11-14)17-8-9-20-19(13-17)16-6-4-3-5-7-16;1-14-7-9-16(10-8-14)18-13-17(11-12-19-18)15-5-3-2-4-6-15;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;/h3-9,11-12,14H,13H2,1-2H3;4-10,12-15H,1-3H3;3-9,11-15H,1-2H3;3-6,8-13H,1-2H3;2-9,11-13H,1H3;2*1-6,8-9H;3,6H,1-2H3;;;;;/q7*-1;;;;;;.

What are the key properties of 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine)?

4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine) has a molecular weight of 2731.40 g/mol, XLogP of 31.98, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;bis(2-phenylpyridine) is sourced from PubChem (CID 159340101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).