4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3,5-di(propan-2-yl)phenyl]benzene-6-id-1-yl]pyridine;4-ethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine

C93H84Ir4N5-5 — CID 159442519

About 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3,5-di(propan-2-yl)phenyl]benzene-6-id-1-yl]pyridine;4-ethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine

4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3,5-di(propan-2-yl)phenyl]benzene-6-id-1-yl]pyridine;4-ethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine (PubChem CID 159442519) has the molecular formula C93H84Ir4N5-5 and a molecular weight of 2040.60 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3,5-di(propan-2-yl)phenyl]benzene-6-id-1-yl]pyridine;4-ethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine.

Molecular Properties

• Compound Name: 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3,5-di(propan-2-yl)phenyl]benzene-6-id-1-yl]pyridine;4-ethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine
• PubChem CID: 159442519
• Molecular Formula: C93H84Ir4N5-5
• Molecular Weight: 2040.60 g/mol
• Exact Mass: 2042.53
• IUPAC Name: 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3,5-di(propan-2-yl)phenyl]benzene-6-id-1-yl]pyridine;4-ethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine
• SMILES: CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)c1cc(-c2cc[c-]c(-c3ccccn3)c2)cc(C(C)C)c1.CCc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1cc(C)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C23H24N.C21H20N.2C19H16N.C11H8N.4Ir/c1-16(2)20-13-21(17(3)4)15-22(14-20)18-8-7-9-19(12-18)23-10-5-6-11-24-23;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;1-14-10-15(2)12-18(11-14)16-6-5-7-17(13-16)19-8-3-4-9-20-19;1-2-15-11-12-20-19(13-15)18-10-6-9-17(14-18)16-7-4-3-5-8-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h5-8,10-17H,1-4H3;4-10,12-15H,1-3H3;3-6,8-13H,1-2H3;3-9,11-14H,2H2,1H3;1-6,8-9H;;;;/q5*-1
• InChIKey: HZKMQCDGFVZXAP-UHFFFAOYSA-N
• XLogP: 24.13
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2040.60
LogP ≤ 5	24.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3,5-di(propan-2-yl)phenyl]benzene-6-id-1-yl]pyridine;4-ethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine?

The IUPAC name of 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3,5-di(propan-2-yl)phenyl]benzene-6-id-1-yl]pyridine;4-ethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine (CID 159442519) is 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3,5-di(propan-2-yl)phenyl]benzene-6-id-1-yl]pyridine;4-ethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine.

What is the SMILES notation for 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3,5-di(propan-2-yl)phenyl]benzene-6-id-1-yl]pyridine;4-ethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine?

The canonical SMILES for 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3,5-di(propan-2-yl)phenyl]benzene-6-id-1-yl]pyridine;4-ethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine is CC(C)(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.CC(C)c1cc(-c2cc[c-]c(-c3ccccn3)c2)cc(C(C)C)c1.CCc1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1cc(C)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3,5-di(propan-2-yl)phenyl]benzene-6-id-1-yl]pyridine;4-ethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine?

The InChIKey is HZKMQCDGFVZXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N.C21H20N.2C19H16N.C11H8N.4Ir/c1-16(2)20-13-21(17(3)4)15-22(14-20)18-8-7-9-19(12-18)23-10-5-6-11-24-23;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;1-14-10-15(2)12-18(11-14)16-6-5-7-17(13-16)19-8-3-4-9-20-19;1-2-15-11-12-20-19(13-15)18-10-6-9-17(14-18)16-7-4-3-5-8-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h5-8,10-17H,1-4H3;4-10,12-15H,1-3H3;3-6,8-13H,1-2H3;3-9,11-14H,2H2,1H3;1-6,8-9H;;;;/q5*-1;;;;.

What are the key properties of 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3,5-di(propan-2-yl)phenyl]benzene-6-id-1-yl]pyridine;4-ethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine?

4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3,5-di(propan-2-yl)phenyl]benzene-6-id-1-yl]pyridine;4-ethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine has a molecular weight of 2040.60 g/mol, XLogP of 24.13, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(3,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3,5-di(propan-2-yl)phenyl]benzene-6-id-1-yl]pyridine;4-ethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenylpyridine is sourced from PubChem (CID 159442519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).