N,N-diphenyl-2-(3-phenylbenzene-6-id-1-yl)pyridin-4-amine;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-2-[3-(2-methylpyrazol-3-yl)benzene-6-id-1-yl]pyridine;bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3-phenylbenzene-6-id-1-yl)pyrimidine;1,1,1-trifluoro-2-methyl-3-pyrazol-1-ylpropan-2-ol

C126H123F3Ir5N11O5-5 — CID 161204485

About N,N-diphenyl-2-(3-phenylbenzene-6-id-1-yl)pyridin-4-amine;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-2-[3-(2-methylpyrazol-3-yl)benzene-6-id-1-yl]pyridine;bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3-phenylbenzene-6-id-1-yl)pyrimidine;1,1,1-trifluoro-2-methyl-3-pyrazol-1-ylpropan-2-ol

N,N-diphenyl-2-(3-phenylbenzene-6-id-1-yl)pyridin-4-amine;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-2-[3-(2-methylpyrazol-3-yl)benzene-6-id-1-yl]pyridine;bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3-phenylbenzene-6-id-1-yl)pyrimidine;1,1,1-trifluoro-2-methyl-3-pyrazol-1-ylpropan-2-ol (PubChem CID 161204485) has the molecular formula C126H123F3Ir5N11O5-5 and a molecular weight of 2889.52 g/mol. Its IUPAC name is N,N-diphenyl-2-(3-phenylbenzene-6-id-1-yl)pyridin-4-amine;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-2-[3-(2-methylpyrazol-3-yl)benzene-6-id-1-yl]pyridine;bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3-phenylbenzene-6-id-1-yl)pyrimidine;1,1,1-trifluoro-2-methyl-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

• Compound Name: N,N-diphenyl-2-(3-phenylbenzene-6-id-1-yl)pyridin-4-amine;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-2-[3-(2-methylpyrazol-3-yl)benzene-6-id-1-yl]pyridine;bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3-phenylbenzene-6-id-1-yl)pyrimidine;1,1,1-trifluoro-2-methyl-3-pyrazol-1-ylpropan-2-ol
• PubChem CID: 161204485
• Molecular Formula: C126H123F3Ir5N11O5-5
• Molecular Weight: 2889.52 g/mol
• Exact Mass: 2891.78
• IUPAC Name: N,N-diphenyl-2-(3-phenylbenzene-6-id-1-yl)pyridin-4-amine;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-2-[3-(2-methylpyrazol-3-yl)benzene-6-id-1-yl]pyridine;bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3-phenylbenzene-6-id-1-yl)pyrimidine;1,1,1-trifluoro-2-methyl-3-pyrazol-1-ylpropan-2-ol
• SMILES: CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(O)(Cn1cccn1)C(F)(F)F.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccnc(-c2[c-]ccc(-c3ccnn3C)c2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1cc(N(c2ccccc2)c2ccccc2)ccn1.[c-]1ccc(-c2ccccc2)cc1-c1ncccn1
• InChI: InChI=1S/C29H21N2.2C18H14N.C16H14N3.C16H11N2.2C11H20O2.C7H9F3N2O.5Ir/c1-4-11-23(12-5-1)24-13-10-14-25(21-24)29-22-28(19-20-30-29)31(26-15-6-2-7-16-26)27-17-8-3-9-18-27;2*1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-12-6-8-17-15(10-12)13-4-3-5-14(11-13)16-7-9-18-19(16)2;1-2-6-13(7-3-1)14-8-4-9-15(12-14)16-17-10-5-11-18-16;2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-6(13,7(8,9)10)5-12-4-2-3-11-12;;;;;/h1-13,15-22H;2*2-8,10-13H,1H3;3,5-11H,1-2H3;1-8,10-12H;2*7,12H,1-6H3;2-4,13H,5H2,1H3;;;;;/q5*-1
• InChIKey: BNZJSGFNTNUXFT-UHFFFAOYSA-N
• XLogP: 30.97
• TPSA: 211.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2889.52
LogP ≤ 5	30.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

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 N,N-diphenyl-2-(3-phenylbenzene-6-id-1-yl)pyridin-4-amine;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-2-[3-(2-methylpyrazol-3-yl)benzene-6-id-1-yl]pyridine;bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3-phenylbenzene-6-id-1-yl)pyrimidine;1,1,1-trifluoro-2-methyl-3-pyrazol-1-ylpropan-2-ol?

The IUPAC name of N,N-diphenyl-2-(3-phenylbenzene-6-id-1-yl)pyridin-4-amine;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-2-[3-(2-methylpyrazol-3-yl)benzene-6-id-1-yl]pyridine;bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3-phenylbenzene-6-id-1-yl)pyrimidine;1,1,1-trifluoro-2-methyl-3-pyrazol-1-ylpropan-2-ol (CID 161204485) is N,N-diphenyl-2-(3-phenylbenzene-6-id-1-yl)pyridin-4-amine;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-2-[3-(2-methylpyrazol-3-yl)benzene-6-id-1-yl]pyridine;bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3-phenylbenzene-6-id-1-yl)pyrimidine;1,1,1-trifluoro-2-methyl-3-pyrazol-1-ylpropan-2-ol.

What is the SMILES notation for N,N-diphenyl-2-(3-phenylbenzene-6-id-1-yl)pyridin-4-amine;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-2-[3-(2-methylpyrazol-3-yl)benzene-6-id-1-yl]pyridine;bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3-phenylbenzene-6-id-1-yl)pyrimidine;1,1,1-trifluoro-2-methyl-3-pyrazol-1-ylpropan-2-ol?

The canonical SMILES for N,N-diphenyl-2-(3-phenylbenzene-6-id-1-yl)pyridin-4-amine;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-2-[3-(2-methylpyrazol-3-yl)benzene-6-id-1-yl]pyridine;bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3-phenylbenzene-6-id-1-yl)pyrimidine;1,1,1-trifluoro-2-methyl-3-pyrazol-1-ylpropan-2-ol is CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(O)(Cn1cccn1)C(F)(F)F.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccnc(-c2[c-]ccc(-c3ccnn3C)c2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1cc(N(c2ccccc2)c2ccccc2)ccn1.[c-]1ccc(-c2ccccc2)cc1-c1ncccn1.

What is the InChIKey of N,N-diphenyl-2-(3-phenylbenzene-6-id-1-yl)pyridin-4-amine;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-2-[3-(2-methylpyrazol-3-yl)benzene-6-id-1-yl]pyridine;bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3-phenylbenzene-6-id-1-yl)pyrimidine;1,1,1-trifluoro-2-methyl-3-pyrazol-1-ylpropan-2-ol?

The InChIKey is BNZJSGFNTNUXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N2.2C18H14N.C16H14N3.C16H11N2.2C11H20O2.C7H9F3N2O.5Ir/c1-4-11-23(12-5-1)24-13-10-14-25(21-24)29-22-28(19-20-30-29)31(26-15-6-2-7-16-26)27-17-8-3-9-18-27;2*1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-12-6-8-17-15(10-12)13-4-3-5-14(11-13)16-7-9-18-19(16)2;1-2-6-13(7-3-1)14-8-4-9-15(12-14)16-17-10-5-11-18-16;2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-6(13,7(8,9)10)5-12-4-2-3-11-12;;;;;/h1-13,15-22H;2*2-8,10-13H,1H3;3,5-11H,1-2H3;1-8,10-12H;2*7,12H,1-6H3;2-4,13H,5H2,1H3;;;;;/q5*-1;;;;;;;;.

What are the key properties of N,N-diphenyl-2-(3-phenylbenzene-6-id-1-yl)pyridin-4-amine;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-2-[3-(2-methylpyrazol-3-yl)benzene-6-id-1-yl]pyridine;bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3-phenylbenzene-6-id-1-yl)pyrimidine;1,1,1-trifluoro-2-methyl-3-pyrazol-1-ylpropan-2-ol?

N,N-diphenyl-2-(3-phenylbenzene-6-id-1-yl)pyridin-4-amine;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-2-[3-(2-methylpyrazol-3-yl)benzene-6-id-1-yl]pyridine;bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3-phenylbenzene-6-id-1-yl)pyrimidine;1,1,1-trifluoro-2-methyl-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 2889.52 g/mol, XLogP of 30.97, 17 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-2-(3-phenylbenzene-6-id-1-yl)pyridin-4-amine;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-2-[3-(2-methylpyrazol-3-yl)benzene-6-id-1-yl]pyridine;bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);2-(3-phenylbenzene-6-id-1-yl)pyrimidine;1,1,1-trifluoro-2-methyl-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 161204485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).