2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine

C127H120F6Ir9N9O2-9 — CID 159198184

About 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine

2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine (PubChem CID 159198184) has the molecular formula C127H120F6Ir9N9O2-9 and a molecular weight of 3648.36 g/mol. Its IUPAC name is 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine
• PubChem CID: 159198184
• Molecular Formula: C127H120F6Ir9N9O2-9
• Molecular Weight: 3648.36 g/mol
• Exact Mass: 3653.62
• IUPAC Name: 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine
• SMILES: CC(=O)C=C(C)O.CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CCCCCCCCc1c[c-]c(-c2ccccn2)cc1.CCCCCCc1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1ccc(-c2[c-]cccc2)nc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C19H24N.C17H20N.2C15H16N.C12H7F3N.C11H6F2N.C11H7FN.2C11H8N.C5H8O2.9Ir/c1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)19-11-8-9-16-20-19;1-2-3-4-6-9-15-12-13-17(18-14-15)16-10-7-5-8-11-16;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;;;;;/h8-9,11-14,16H,2-7,10H2,1H3;5,7-8,10,12-14H,2-4,6,9H2,1H3;2*4-7,9-11H,1-3H3;1-4,6-8H;1-4,6-7H;1-4,6-8H;2*1-6,8-9H;3,6H,1-2H3;;;;;;;;;/q9*-1
• InChIKey: ULERQCWOZWUBOJ-UHFFFAOYSA-N
• XLogP: 33.01
• TPSA: 153.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3648.36
LogP ≤ 5	33.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine?

The IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine (CID 159198184) is 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine?

The canonical SMILES for 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine is CC(=O)C=C(C)O.CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CCCCCCCCc1c[c-]c(-c2ccccn2)cc1.CCCCCCc1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1ccc(-c2[c-]cccc2)nc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine?

The InChIKey is ULERQCWOZWUBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N.C17H20N.2C15H16N.C12H7F3N.C11H6F2N.C11H7FN.2C11H8N.C5H8O2.9Ir/c1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)19-11-8-9-16-20-19;1-2-3-4-6-9-15-12-13-17(18-14-15)16-10-7-5-8-11-16;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;;;;;/h8-9,11-14,16H,2-7,10H2,1H3;5,7-8,10,12-14H,2-4,6,9H2,1H3;2*4-7,9-11H,1-3H3;1-4,6-8H;1-4,6-7H;1-4,6-8H;2*1-6,8-9H;3,6H,1-2H3;;;;;;;;;/q9*-1;;;;;;;;;;.

What are the key properties of 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine?

2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine has a molecular weight of 3648.36 g/mol, XLogP of 33.01, 22 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylbenzene-6-id-1-yl)pyridine;5-tert-butyl-2-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-hexyl-2-phenylpyridine;4-hydroxypent-3-en-2-one;nonakis(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 159198184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).