2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(4-tert-butylpyrrol-1-id-2-yl)pyridine;4-(2,6-dimethylphenyl)-2-phenylpyridine;4-(2,3-dimethylphenyl)-6-phenylpyrimidine;4-(2,4-dimethylphenyl)-6-phenylpyrimidine;4-(2,5-dimethylphenyl)-6-phenylpyrimidine;tetrakis(iridium);pentane-2,4-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C112H107F3Ir4N15O2-7 — CID 160872820

About 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(4-tert-butylpyrrol-1-id-2-yl)pyridine;4-(2,6-dimethylphenyl)-2-phenylpyridine;4-(2,3-dimethylphenyl)-6-phenylpyrimidine;4-(2,4-dimethylphenyl)-6-phenylpyrimidine;4-(2,5-dimethylphenyl)-6-phenylpyrimidine;tetrakis(iridium);pentane-2,4-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(4-tert-butylpyrrol-1-id-2-yl)pyridine;4-(2,6-dimethylphenyl)-2-phenylpyridine;4-(2,3-dimethylphenyl)-6-phenylpyrimidine;4-(2,4-dimethylphenyl)-6-phenylpyrimidine;4-(2,5-dimethylphenyl)-6-phenylpyrimidine;tetrakis(iridium);pentane-2,4-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 160872820) has the molecular formula C112H107F3Ir4N15O2-7 and a molecular weight of 2521.05 g/mol. Its IUPAC name is 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(4-tert-butylpyrrol-1-id-2-yl)pyridine;4-(2,6-dimethylphenyl)-2-phenylpyridine;4-(2,3-dimethylphenyl)-6-phenylpyrimidine;4-(2,4-dimethylphenyl)-6-phenylpyrimidine;4-(2,5-dimethylphenyl)-6-phenylpyrimidine;tetrakis(iridium);pentane-2,4-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(4-tert-butylpyrrol-1-id-2-yl)pyridine;4-(2,6-dimethylphenyl)-2-phenylpyridine;4-(2,3-dimethylphenyl)-6-phenylpyrimidine;4-(2,4-dimethylphenyl)-6-phenylpyrimidine;4-(2,5-dimethylphenyl)-6-phenylpyrimidine;tetrakis(iridium);pentane-2,4-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 160872820
• Molecular Formula: C112H107F3Ir4N15O2-7
• Molecular Weight: 2521.05 g/mol
• Exact Mass: 2522.72
• IUPAC Name: 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(4-tert-butylpyrrol-1-id-2-yl)pyridine;4-(2,6-dimethylphenyl)-2-phenylpyridine;4-(2,3-dimethylphenyl)-6-phenylpyrimidine;4-(2,4-dimethylphenyl)-6-phenylpyrimidine;4-(2,5-dimethylphenyl)-6-phenylpyrimidine;tetrakis(iridium);pentane-2,4-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: CC(C)(C)c1c[n-]c(-c2ccccn2)c1.CC(C)(C)c1cc(-c2ccccn2)[n-]n1.CC(O)CC(C)O.Cc1ccc(-c2cc(-c3[c-]cccc3)ncn2)c(C)c1.Cc1ccc(C)c(-c2cc(-c3[c-]cccc3)ncn2)c1.Cc1cccc(-c2cc(-c3[c-]cccc3)ncn2)c1C.Cc1cccc(C)c1-c1ccnc(-c2[c-]cccc2)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C19H16N.3C18H15N2.C13H15N2.C12H14N3.C9H5F3N3.C5H12O2.4Ir/c1-14-7-6-8-15(2)19(14)17-11-12-20-18(13-17)16-9-4-3-5-10-16;1-13-7-6-10-16(14(13)2)18-11-17(19-12-20-18)15-8-4-3-5-9-15;1-13-8-9-16(14(2)10-13)18-11-17(19-12-20-18)15-6-4-3-5-7-15;1-13-8-9-14(2)16(10-13)18-11-17(19-12-20-18)15-6-4-3-5-7-15;1-13(2,3)10-8-12(15-9-10)11-6-4-5-7-14-11;1-12(2,3)11-8-10(14-15-11)9-6-4-5-7-13-9;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-4(6)3-5(2)7;;;;/h3-9,11-13H,1-2H3;3-8,10-12H,1-2H3;2*3-6,8-12H,1-2H3;4-9H,1-3H3;4-8H,1-3H3;1-5H;4-7H,3H2,1-2H3;;;;/q7*-1
• InChIKey: BGBFJDKASTZIMV-UHFFFAOYSA-N
• XLogP: 25.16
• TPSA: 237.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2521.05
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(4-tert-butylpyrrol-1-id-2-yl)pyridine;4-(2,6-dimethylphenyl)-2-phenylpyridine;4-(2,3-dimethylphenyl)-6-phenylpyrimidine;4-(2,4-dimethylphenyl)-6-phenylpyrimidine;4-(2,5-dimethylphenyl)-6-phenylpyrimidine;tetrakis(iridium);pentane-2,4-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(4-tert-butylpyrrol-1-id-2-yl)pyridine;4-(2,6-dimethylphenyl)-2-phenylpyridine;4-(2,3-dimethylphenyl)-6-phenylpyrimidine;4-(2,4-dimethylphenyl)-6-phenylpyrimidine;4-(2,5-dimethylphenyl)-6-phenylpyrimidine;tetrakis(iridium);pentane-2,4-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 160872820) is 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(4-tert-butylpyrrol-1-id-2-yl)pyridine;4-(2,6-dimethylphenyl)-2-phenylpyridine;4-(2,3-dimethylphenyl)-6-phenylpyrimidine;4-(2,4-dimethylphenyl)-6-phenylpyrimidine;4-(2,5-dimethylphenyl)-6-phenylpyrimidine;tetrakis(iridium);pentane-2,4-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(4-tert-butylpyrrol-1-id-2-yl)pyridine;4-(2,6-dimethylphenyl)-2-phenylpyridine;4-(2,3-dimethylphenyl)-6-phenylpyrimidine;4-(2,4-dimethylphenyl)-6-phenylpyrimidine;4-(2,5-dimethylphenyl)-6-phenylpyrimidine;tetrakis(iridium);pentane-2,4-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(4-tert-butylpyrrol-1-id-2-yl)pyridine;4-(2,6-dimethylphenyl)-2-phenylpyridine;4-(2,3-dimethylphenyl)-6-phenylpyrimidine;4-(2,4-dimethylphenyl)-6-phenylpyrimidine;4-(2,5-dimethylphenyl)-6-phenylpyrimidine;tetrakis(iridium);pentane-2,4-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC(C)(C)c1c[n-]c(-c2ccccn2)c1.CC(C)(C)c1cc(-c2ccccn2)[n-]n1.CC(O)CC(C)O.Cc1ccc(-c2cc(-c3[c-]cccc3)ncn2)c(C)c1.Cc1ccc(C)c(-c2cc(-c3[c-]cccc3)ncn2)c1.Cc1cccc(-c2cc(-c3[c-]cccc3)ncn2)c1C.Cc1cccc(C)c1-c1ccnc(-c2[c-]cccc2)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(4-tert-butylpyrrol-1-id-2-yl)pyridine;4-(2,6-dimethylphenyl)-2-phenylpyridine;4-(2,3-dimethylphenyl)-6-phenylpyrimidine;4-(2,4-dimethylphenyl)-6-phenylpyrimidine;4-(2,5-dimethylphenyl)-6-phenylpyrimidine;tetrakis(iridium);pentane-2,4-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is BGBFJDKASTZIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N.3C18H15N2.C13H15N2.C12H14N3.C9H5F3N3.C5H12O2.4Ir/c1-14-7-6-8-15(2)19(14)17-11-12-20-18(13-17)16-9-4-3-5-10-16;1-13-7-6-10-16(14(13)2)18-11-17(19-12-20-18)15-8-4-3-5-9-15;1-13-8-9-16(14(2)10-13)18-11-17(19-12-20-18)15-6-4-3-5-7-15;1-13-8-9-14(2)16(10-13)18-11-17(19-12-20-18)15-6-4-3-5-7-15;1-13(2,3)10-8-12(15-9-10)11-6-4-5-7-14-11;1-12(2,3)11-8-10(14-15-11)9-6-4-5-7-13-9;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-4(6)3-5(2)7;;;;/h3-9,11-13H,1-2H3;3-8,10-12H,1-2H3;2*3-6,8-12H,1-2H3;4-9H,1-3H3;4-8H,1-3H3;1-5H;4-7H,3H2,1-2H3;;;;/q7*-1;;;;;.

What are the key properties of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(4-tert-butylpyrrol-1-id-2-yl)pyridine;4-(2,6-dimethylphenyl)-2-phenylpyridine;4-(2,3-dimethylphenyl)-6-phenylpyrimidine;4-(2,4-dimethylphenyl)-6-phenylpyrimidine;4-(2,5-dimethylphenyl)-6-phenylpyrimidine;tetrakis(iridium);pentane-2,4-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(4-tert-butylpyrrol-1-id-2-yl)pyridine;4-(2,6-dimethylphenyl)-2-phenylpyridine;4-(2,3-dimethylphenyl)-6-phenylpyrimidine;4-(2,4-dimethylphenyl)-6-phenylpyrimidine;4-(2,5-dimethylphenyl)-6-phenylpyrimidine;tetrakis(iridium);pentane-2,4-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2521.05 g/mol, XLogP of 25.16, 13 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(4-tert-butylpyrrol-1-id-2-yl)pyridine;4-(2,6-dimethylphenyl)-2-phenylpyridine;4-(2,3-dimethylphenyl)-6-phenylpyrimidine;4-(2,4-dimethylphenyl)-6-phenylpyrimidine;4-(2,5-dimethylphenyl)-6-phenylpyrimidine;tetrakis(iridium);pentane-2,4-diol;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 160872820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).