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;decakis(iridium);1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine

C154H148F6Ir10N10O2-10 — CID 159877643

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;decakis(iridium);1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;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;decakis(iridium);1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine (PubChem CID 159877643) has the molecular formula C154H148F6Ir10N10O2-10 and a molecular weight of 4207.10 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;decakis(iridium);1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;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;decakis(iridium);1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine
• PubChem CID: 159877643
• Molecular Formula: C154H148F6Ir10N10O2-10
• Molecular Weight: 4207.10 g/mol
• Exact Mass: 4212.80
• 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;decakis(iridium);1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;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.CCCCCCCCc1c[c-]c(-c2nccc3ccccc23)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].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/C23H26N.C19H24N.C17H20N.C15H10N.2C15H16N.C12H7F3N.C11H6F2N.C11H7FN.C11H8N.C5H8O2.10Ir/c1-2-3-4-5-6-7-10-19-13-15-21(16-14-19)23-22-12-9-8-11-20(22)17-18-24-23;1-2-3-4-5-6-7-10-17-12-14-18(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;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;;;;;;/h8-9,11-15,17-18H,2-7,10H2,1H3;8-9,11-14,16H,2-7,10H2,1H3;5,7-8,10,12-14H,2-4,6,9H2,1H3;1-7,9-11H;2*4-7,9-11H,1-3H3;1-4,6-8H;1-4,6-7H;1-4,6-8H;1-6,8-9H;3,6H,1-2H3;;;;;;;;;;/q10*-1
• InChIKey: CPWUCLGSDZLMBL-UHFFFAOYSA-N
• XLogP: 40.77
• TPSA: 166.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 30
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4207.10
LogP ≤ 5	40.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

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;decakis(iridium);1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;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;decakis(iridium);1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine (CID 159877643) 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;decakis(iridium);1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;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;decakis(iridium);1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;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;decakis(iridium);1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;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.CCCCCCCCc1c[c-]c(-c2nccc3ccccc23)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].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.

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;decakis(iridium);1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine?

The InChIKey is CPWUCLGSDZLMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N.C19H24N.C17H20N.C15H10N.2C15H16N.C12H7F3N.C11H6F2N.C11H7FN.C11H8N.C5H8O2.10Ir/c1-2-3-4-5-6-7-10-19-13-15-21(16-14-19)23-22-12-9-8-11-20(22)17-18-24-23;1-2-3-4-5-6-7-10-17-12-14-18(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;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;;;;;;/h8-9,11-15,17-18H,2-7,10H2,1H3;8-9,11-14,16H,2-7,10H2,1H3;5,7-8,10,12-14H,2-4,6,9H2,1H3;1-7,9-11H;2*4-7,9-11H,1-3H3;1-4,6-8H;1-4,6-7H;1-4,6-8H;1-6,8-9H;3,6H,1-2H3;;;;;;;;;;/q10*-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;decakis(iridium);1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;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;decakis(iridium);1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine has a molecular weight of 4207.10 g/mol, XLogP of 40.77, 30 rotatable bonds, 1 hydrogen bond donors, and 12 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;decakis(iridium);1-(4-octylbenzene-6-id-1-yl)isoquinoline;2-(4-octylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 159877643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).